 Entering Gaussian System, Link 0=g16
 Input=07_transpinane_STD_M11-augccpVDZr.in
 Output=07_transpinane_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/07_transpinane_STD/Gau-77614.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/07_transpinane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     77615.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 9-Jul-2021 
 ******************************************
 %NoSave
 %nproc=12
 Will use up to   12 processors via shared memory.
 %mem=128GB
 %chk=07_transpinane_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul  9 21:38:29 2021, MaxMem= 17179869184 cpu:               1.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "07_transpinane_STD_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.528880000000      1.093729000000      0.246966000000
  C                                                -1.321456000000     -0.416759000000      0.534617000000
  C                                                -0.251555000000      1.852797000000     -0.188359000000
  C                                                 0.770710000000      0.903021000000     -0.813047000000
  C                                                 1.207111000000     -0.195282000000      0.209826000000
  C                                                -0.097064000000     -0.937248000000     -0.228322000000
  C                                                 0.020234000000     -0.208022000000     -1.592788000000
  H                                                -1.986528000000      1.578225000000      1.111675000000
  C                                                -2.579256000000     -1.209394000000      0.185867000000
  H                                                -1.133681000000     -0.556858000000      1.602321000000
  H                                                 1.569849000000      1.446260000000     -1.321922000000
  C                                                 1.387674000000      0.189094000000      1.672498000000
  C                                                 2.463556000000     -0.935948000000     -0.249050000000
  H                                                -0.064495000000     -2.029648000000     -0.222695000000
  H                                                 0.653697000000     -0.734184000000     -2.301610000000
  H                                                -0.904266000000      0.071251000000     -2.098034000000
  H                                                 0.543396000000      0.733850000000      2.089372000000
  H                                                 2.274733000000      0.817174000000      1.790633000000
  H                                                 1.536666000000     -0.704580000000      2.284391000000
  H                                                 2.414606000000     -1.247642000000     -1.291582000000
  H                                                 2.620603000000     -1.831637000000      0.357494000000
  H                                                 3.344630000000     -0.299271000000     -0.134439000000
  H                                                -2.262427000000      1.175948000000     -0.557656000000
  H                                                -0.525798000000      2.622427000000     -0.914283000000
  H                                                 0.202587000000      2.377960000000      0.654229000000
  H                                                -2.781972000000     -1.167070000000     -0.887575000000
  H                                                -3.453499000000     -0.808443000000      0.704109000000
  H                                                -2.474549000000     -2.259702000000      0.466325000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     28 NQM=       28 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12           1          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1          12          12           1           1           1           1           1           1           1
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           0           0           1           1           1           1           1           1           1
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28
 IAtWgt=           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul  9 21:38:30 2021, MaxMem= 17179869184 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.528880    1.093729    0.246966
      2          6           0       -1.321456   -0.416759    0.534617
      3          6           0       -0.251555    1.852797   -0.188359
      4          6           0        0.770710    0.903021   -0.813047
      5          6           0        1.207111   -0.195282    0.209826
      6          6           0       -0.097064   -0.937248   -0.228322
      7          6           0        0.020234   -0.208022   -1.592788
      8          1           0       -1.986528    1.578225    1.111675
      9          6           0       -2.579256   -1.209394    0.185867
     10          1           0       -1.133681   -0.556858    1.602321
     11          1           0        1.569849    1.446260   -1.321922
     12          6           0        1.387674    0.189094    1.672498
     13          6           0        2.463556   -0.935948   -0.249050
     14          1           0       -0.064495   -2.029648   -0.222695
     15          1           0        0.653697   -0.734184   -2.301610
     16          1           0       -0.904266    0.071251   -2.098034
     17          1           0        0.543396    0.733850    2.089372
     18          1           0        2.274733    0.817174    1.790633
     19          1           0        1.536666   -0.704580    2.284391
     20          1           0        2.414606   -1.247642   -1.291582
     21          1           0        2.620603   -1.831637    0.357494
     22          1           0        3.344630   -0.299271   -0.134439
     23          1           0       -2.262427    1.175948   -0.557656
     24          1           0       -0.525798    2.622427   -0.914283
     25          1           0        0.202587    2.377960    0.654229
     26          1           0       -2.781972   -1.167070   -0.887575
     27          1           0       -3.453499   -0.808443    0.704109
     28          1           0       -2.474549   -2.259702    0.466325
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.551561   0.000000
     3  C    1.548306   2.611181   0.000000
     4  C    2.539313   2.816944   1.528835   0.000000
     5  C    3.024661   2.558944   2.545758   1.563005   0.000000
     6  C    2.529993   1.533662   2.794605   2.116961   1.563125
     7  C    2.734777   2.523798   2.508638   1.551008   2.158299
     8  H    1.091742   2.180660   2.185317   3.429696   3.762710
     9  C    2.532074   1.527075   3.864615   4.084409   3.919894
    10  H    2.172005   1.093105   3.129076   3.404696   2.747560
    11  H    3.491104   3.908609   2.183518   1.092101   2.274311
    12  C    3.369984   3.000203   2.986263   2.658622   1.523075
    13  C    4.506125   3.900001   3.892635   2.562348   1.528989
    14  H    3.481449   2.180570   3.887100   3.105902   2.273534
    15  H    3.821014   3.470760   3.460893   2.215841   2.627545
    16  H    2.633368   2.709807   2.691987   2.269048   3.139295
    17  H    2.796122   2.686789   2.659332   2.916218   2.199204
    18  H    4.114227   4.004091   3.372100   3.008090   2.159591
    19  H    4.096656   3.363541   3.981508   3.572841   2.161437
    20  H    4.837378   4.240699   4.235356   2.748953   2.195389
    21  H    5.078208   4.192026   4.703435   3.502945   2.167354
    22  H    5.083013   4.715273   4.191283   2.920801   2.167561
    23  H    1.091910   2.148302   2.153627   3.056081   3.808805
    24  H    2.166008   3.459629   1.092934   2.155815   3.493720
    25  H    2.193876   3.185509   1.091786   2.156643   2.797881
    26  H    2.822877   2.172258   4.001438   4.112466   4.249876
    27  H    2.744339   2.174339   4.258068   4.803625   4.726687
    28  H    3.491118   2.175023   4.720483   4.708643   4.228740
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.551547   0.000000
     8  H    3.419542   3.812072   0.000000
     9  C    2.531184   3.305103   2.996542   0.000000
    10  H    2.137879   3.414957   2.350885   2.126460   0.000000
    11  H    3.107357   2.282832   4.311337   5.151796   4.457887
    12  C    2.661994   3.562259   3.691808   4.461208   2.630323
    13  C    2.560704   2.881897   5.289224   5.068913   4.063422
    14  H    1.092900   2.280933   4.300175   2.676521   2.577393
    15  H    2.214362   1.086531   4.895767   4.106745   4.297306
    16  H    2.272547   1.089939   3.707357   3.108351   3.760290
    17  H    2.928218   3.836551   2.840665   4.141314   2.171574
    18  H    3.574856   4.193010   4.381612   5.499406   3.679771
    19  H    3.006149   4.192690   4.358825   4.647521   2.760035
    20  H    2.745060   2.627651   5.755966   5.207972   4.630572
    21  H    2.920415   3.633407   5.781142   5.239769   4.155635
    22  H    3.501583   3.631352   5.787835   6.001945   4.810193
    23  H    3.043494   2.863112   1.739141   2.518544   2.990349
    24  H    3.650430   2.961412   2.707138   4.484403   4.100082
    25  H    3.443732   3.430691   2.375091   4.563674   3.361197
    26  H    2.774196   3.044578   3.488033   1.093235   3.047754
    27  H    3.485925   4.207501   2.830954   1.092537   2.500327
    28  H    2.807820   3.830572   3.922286   1.092139   2.447058
                   11         12         13         14         15
    11  H    0.000000
    12  C    3.252723   0.000000
    13  C    2.761283   2.472972   0.000000
    14  H    3.995162   3.259351   2.754617   0.000000
    15  H    2.559972   4.145443   2.743957   2.552629   0.000000
    16  H    2.935003   4.414044   3.971828   2.938688   1.765621
    17  H    3.632914   1.087818   3.455931   3.654053   4.631200
    18  H    3.252785   1.093304   2.696182   4.198794   4.667004
    19  H    4.199132   1.093282   2.707578   3.256532   4.670323
    20  H    2.823410   3.450300   1.089230   2.810693   2.093943
    21  H    3.830030   2.707896   1.093077   2.754193   3.484818
    22  H    2.758050   2.707988   1.093062   3.824150   3.482370
    23  H    3.917079   4.389841   5.185582   3.901147   3.897917
    24  H    2.437473   4.034095   4.694764   4.725769   3.818733
    25  H    2.577333   2.689319   4.112162   4.501926   4.315776
    26  H    5.094752   5.077313   5.289300   2.927591   3.740415
    27  H    5.867070   5.036846   5.994690   3.719631   5.090081
    28  H    5.769674   4.729505   5.162264   2.517148   4.446863
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.479858   0.000000
    18  H    5.077811   1.758896   0.000000
    19  H    5.075994   1.758891   1.761895   0.000000
    20  H    3.661250   4.342648   3.712557   3.721999   0.000000
    21  H    4.698436   3.727722   3.031454   2.481554   1.761515
    22  H    4.695328   3.722847   2.469217   3.046924   1.761628
    23  H    2.331892   3.882634   5.121426   5.103599   5.318559
    24  H    2.837781   3.705650   4.291676   5.055121   4.875014
    25  H    3.757789   2.208820   2.832182   3.733530   4.671638
    26  H    2.554296   4.851163   6.056425   5.378280   5.212882
    27  H    3.889017   4.502532   6.052752   5.235439   6.213721
    28  H    3.804611   4.550124   5.811767   4.670505   5.293235
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.764755   0.000000
    23  H    5.807499   5.813301   0.000000
    24  H    5.599638   4.911689   2.288092   0.000000
    25  H    4.863698   4.202618   2.998298   1.746579   0.000000
    26  H    5.583875   6.233421   2.422500   4.410365   4.883850
    27  H    6.169423   6.868550   2.636003   4.791815   4.850012
    28  H    5.114260   6.169850   3.591270   5.434969   5.358197
                   26         27         28
    26  H    0.000000
    27  H    1.764375   0.000000
    28  H    1.766748   1.766646   0.000000
 Stoichiometry    C10H18
 Framework group  C1[X(C10H18)]
 Deg. of freedom    78
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.82D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.528880    1.093729    0.246966
      2          6           0       -1.321456   -0.416759    0.534617
      3          6           0       -0.251555    1.852797   -0.188359
      4          6           0        0.770710    0.903021   -0.813047
      5          6           0        1.207111   -0.195282    0.209826
      6          6           0       -0.097064   -0.937248   -0.228322
      7          6           0        0.020234   -0.208022   -1.592788
      8          1           0       -1.986528    1.578225    1.111675
      9          6           0       -2.579256   -1.209394    0.185867
     10          1           0       -1.133681   -0.556858    1.602321
     11          1           0        1.569849    1.446260   -1.321922
     12          6           0        1.387674    0.189094    1.672498
     13          6           0        2.463556   -0.935948   -0.249050
     14          1           0       -0.064495   -2.029648   -0.222695
     15          1           0        0.653697   -0.734184   -2.301610
     16          1           0       -0.904266    0.071251   -2.098034
     17          1           0        0.543396    0.733850    2.089372
     18          1           0        2.274733    0.817174    1.790633
     19          1           0        1.536666   -0.704580    2.284391
     20          1           0        2.414606   -1.247642   -1.291582
     21          1           0        2.620603   -1.831637    0.357494
     22          1           0        3.344630   -0.299271   -0.134439
     23          1           0       -2.262427    1.175948   -0.557656
     24          1           0       -0.525798    2.622427   -0.914283
     25          1           0        0.202587    2.377960    0.654229
     26          1           0       -2.781972   -1.167070   -0.887575
     27          1           0       -3.453499   -0.808443    0.704109
     28          1           0       -2.474549   -2.259702    0.466325
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9658786           1.1625021           1.0803891
 Leave Link  202 at Fri Jul  9 21:38:30 2021, MaxMem= 17179869184 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8     10     11     14     15     16     17     18     19     20
 Centers:      21     22     23     24     25     26     27     28
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9     12     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 424 were deleted.
 There are   412 symmetry adapted cartesian basis functions of A   symmetry.
 There are   392 symmetry adapted basis functions of A   symmetry.
   392 basis functions,   686 primitive gaussians,   412 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       595.1708560182 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   28 NActive=   28 NUniq=   28 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Jul  9 21:38:31 2021, MaxMem= 17179869184 cpu:              15.2 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   392 RedAO= T EigKep=  1.88D-06  NBF=   392
 NBsUse=   392 1.00D-06 EigRej= -1.00D+00 NBFU=   392
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   412   412   412   412   412 MxSgAt=    28 MxSgA2=    28.
 Leave Link  302 at Fri Jul  9 21:38:32 2021, MaxMem= 17179869184 cpu:               5.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul  9 21:38:32 2021, MaxMem= 17179869184 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "07_transpinane_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul  9 21:38:33 2021, MaxMem= 17179869184 cpu:               5.2 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 17179869184 LenX= 17179520668 LenY= 17179350483
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -391.639418013587    
 DIIS: error= 2.94D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -391.639418013587     IErMin= 1 ErrMin= 2.94D-03
 ErrMax= 2.94D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-02 BMatP= 1.22D-02
 IDIUse=3 WtCom= 9.71D-01 WtEn= 2.94D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.462 Goal=   None    Shift=    0.000
 GapD=    0.462 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=4.54D-02 MaxDP=6.13D+00              OVMax= 1.40D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.26D-02    CP:  1.92D+00
 E= -391.651597814711     Delta-E=       -0.012179801124 Rises=F Damp=F
 DIIS: error= 4.82D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -391.651597814711     IErMin= 2 ErrMin= 4.82D-04
 ErrMax= 4.82D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.21D-04 BMatP= 1.22D-02
 IDIUse=3 WtCom= 9.95D-01 WtEn= 4.82D-03
 Coeff-Com: -0.616D-01 0.106D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.613D-01 0.106D+01
 Gap=     0.350 Goal=   None    Shift=    0.000
 RMSDP=8.01D-03 MaxDP=1.20D+00 DE=-1.22D-02 OVMax= 3.83D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.60D-03    CP:  2.09D+00  1.17D+00
 E= -391.651897224333     Delta-E=       -0.000299409622 Rises=F Damp=F
 DIIS: error= 2.62D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -391.651897224333     IErMin= 3 ErrMin= 2.62D-04
 ErrMax= 2.62D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.84D-05 BMatP= 2.21D-04
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.62D-03
 Coeff-Com: -0.308D-01 0.339D+00 0.691D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.307D-01 0.339D+00 0.692D+00
 Gap=     0.352 Goal=   None    Shift=    0.000
 RMSDP=6.50D-04 MaxDP=8.15D-02 DE=-2.99D-04 OVMax= 1.61D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.27D-04    CP:  2.10D+00  1.18D+00  1.03D+00
 E= -391.651952620788     Delta-E=       -0.000055396455 Rises=F Damp=F
 DIIS: error= 9.46D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -391.651952620788     IErMin= 4 ErrMin= 9.46D-05
 ErrMax= 9.46D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.73D-06 BMatP= 5.84D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.472D-03-0.609D-01 0.219D+00 0.843D+00
 Coeff:     -0.472D-03-0.609D-01 0.219D+00 0.843D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.36D-04 MaxDP=8.03D-03 DE=-5.54D-05 OVMax= 5.67D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.75D-05    CP:  2.10D+00  1.18D+00  1.09D+00  9.31D-01
 E= -391.651961285491     Delta-E=       -0.000008664703 Rises=F Damp=F
 DIIS: error= 1.36D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -391.651961285491     IErMin= 5 ErrMin= 1.36D-05
 ErrMax= 1.36D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.39D-07 BMatP= 7.73D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.161D-02-0.313D-01 0.647D-02 0.170D+00 0.853D+00
 Coeff:      0.161D-02-0.313D-01 0.647D-02 0.170D+00 0.853D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=2.68D-05 MaxDP=2.61D-03 DE=-8.66D-06 OVMax= 1.28D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.61D-05    CP:  2.10D+00  1.18D+00  1.09D+00  9.69D-01  1.10D+00
 E= -391.651961587016     Delta-E=       -0.000000301526 Rises=F Damp=F
 DIIS: error= 3.36D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -391.651961587016     IErMin= 6 ErrMin= 3.36D-06
 ErrMax= 3.36D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.49D-08 BMatP= 2.39D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.397D-03-0.297D-02-0.135D-01-0.161D-01 0.232D+00 0.800D+00
 Coeff:      0.397D-03-0.297D-02-0.135D-01-0.161D-01 0.232D+00 0.800D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.90D-05 MaxDP=2.86D-03 DE=-3.02D-07 OVMax= 4.25D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.99D-06    CP:  2.10D+00  1.18D+00  1.09D+00  9.71D-01  1.14D+00
                    CP:  9.63D-01
 E= -391.651961619916     Delta-E=       -0.000000032900 Rises=F Damp=F
 DIIS: error= 9.15D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -391.651961619916     IErMin= 7 ErrMin= 9.15D-07
 ErrMax= 9.15D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.50D-09 BMatP= 2.49D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.718D-04 0.219D-02-0.350D-02-0.193D-01-0.398D-01 0.132D+00
 Coeff-Com:  0.929D+00
 Coeff:     -0.718D-04 0.219D-02-0.350D-02-0.193D-01-0.398D-01 0.132D+00
 Coeff:      0.929D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=6.61D-06 MaxDP=8.07D-04 DE=-3.29D-08 OVMax= 1.48D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.47D-06    CP:  2.10D+00  1.18D+00  1.09D+00  9.71D-01  1.16D+00
                    CP:  1.01D+00  1.27D+00
 E= -391.651961622440     Delta-E=       -0.000000002524 Rises=F Damp=F
 DIIS: error= 2.11D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -391.651961622440     IErMin= 8 ErrMin= 2.11D-07
 ErrMax= 2.11D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.01D-11 BMatP= 1.50D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.349D-04 0.639D-03-0.228D-03-0.345D-02-0.206D-01-0.909D-02
 Coeff-Com:  0.195D+00 0.838D+00
 Coeff:     -0.349D-04 0.639D-03-0.228D-03-0.345D-02-0.206D-01-0.909D-02
 Coeff:      0.195D+00 0.838D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=8.74D-07 MaxDP=9.77D-05 DE=-2.52D-09 OVMax= 3.71D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.57D-07    CP:  2.10D+00  1.18D+00  1.09D+00  9.71D-01  1.16D+00
                    CP:  1.01D+00  1.35D+00  1.12D+00
 E= -391.651961622613     Delta-E=       -0.000000000173 Rises=F Damp=F
 DIIS: error= 8.52D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -391.651961622613     IErMin= 9 ErrMin= 8.52D-08
 ErrMax= 8.52D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.22D-11 BMatP= 9.01D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.118D-05-0.723D-04 0.311D-03 0.135D-02-0.610D-03-0.165D-01
 Coeff-Com: -0.563D-01 0.218D+00 0.854D+00
 Coeff:     -0.118D-05-0.723D-04 0.311D-03 0.135D-02-0.610D-03-0.165D-01
 Coeff:     -0.563D-01 0.218D+00 0.854D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=3.03D-07 MaxDP=2.33D-05 DE=-1.73D-10 OVMax= 1.34D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.55D-07    CP:  2.10D+00  1.18D+00  1.09D+00  9.71D-01  1.16D+00
                    CP:  1.01D+00  1.38D+00  1.23D+00  1.18D+00
 E= -391.651961622625     Delta-E=       -0.000000000012 Rises=F Damp=F
 DIIS: error= 2.11D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -391.651961622625     IErMin=10 ErrMin= 2.11D-08
 ErrMax= 2.11D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.53D-13 BMatP= 1.22D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.231D-05-0.614D-04 0.716D-04 0.512D-03 0.142D-02-0.271D-02
 Coeff-Com: -0.252D-01-0.135D-01 0.173D+00 0.866D+00
 Coeff:      0.231D-05-0.614D-04 0.716D-04 0.512D-03 0.142D-02-0.271D-02
 Coeff:     -0.252D-01-0.135D-01 0.173D+00 0.866D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=6.37D-08 MaxDP=3.76D-06 DE=-1.21D-11 OVMax= 3.44D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.61D-08    CP:  2.10D+00  1.18D+00  1.09D+00  9.72D-01  1.16D+00
                    CP:  1.01D+00  1.38D+00  1.24D+00  1.26D+00  1.19D+00
 E= -391.651961622638     Delta-E=       -0.000000000013 Rises=F Damp=F
 DIIS: error= 4.66D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -391.651961622638     IErMin=11 ErrMin= 4.66D-09
 ErrMax= 4.66D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.21D-14 BMatP= 5.53D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.244D-06-0.235D-05-0.633D-05-0.134D-04 0.165D-03 0.414D-03
 Coeff-Com:  0.159D-03-0.109D-01-0.270D-01 0.889D-01 0.948D+00
 Coeff:      0.244D-06-0.235D-05-0.633D-05-0.134D-04 0.165D-03 0.414D-03
 Coeff:      0.159D-03-0.109D-01-0.270D-01 0.889D-01 0.948D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=3.64D-08 MaxDP=5.69D-06 DE=-1.25D-11 OVMax= 1.08D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.02D-08    CP:  2.10D+00  1.18D+00  1.09D+00  9.72D-01  1.16D+00
                    CP:  1.01D+00  1.38D+00  1.24D+00  1.28D+00  1.28D+00
                    CP:  1.16D+00
 E= -391.651961622554     Delta-E=        0.000000000084 Rises=F Damp=F
 DIIS: error= 2.50D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -391.651961622638     IErMin=12 ErrMin= 2.50D-09
 ErrMax= 2.50D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.10D-15 BMatP= 3.21D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.204D-06 0.676D-05-0.107D-04-0.677D-04-0.112D-03 0.482D-03
 Coeff-Com:  0.316D-02-0.210D-02-0.316D-01-0.731D-01 0.344D+00 0.760D+00
 Coeff:     -0.204D-06 0.676D-05-0.107D-04-0.677D-04-0.112D-03 0.482D-03
 Coeff:      0.316D-02-0.210D-02-0.316D-01-0.731D-01 0.344D+00 0.760D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=1.15D-08 MaxDP=1.64D-06 DE= 8.37D-11 OVMax= 2.80D-08

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  2.89D-09    CP:  2.10D+00  1.18D+00  1.09D+00  9.72D-01  1.16D+00
                    CP:  1.01D+00  1.38D+00  1.24D+00  1.28D+00  1.30D+00
                    CP:  1.23D+00  1.21D+00
 E= -391.651961622635     Delta-E=       -0.000000000080 Rises=F Damp=F
 DIIS: error= 3.34D-10 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=11 EnMin= -391.651961622638     IErMin=13 ErrMin= 3.34D-10
 ErrMax= 3.34D-10  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.81D-16 BMatP= 8.10D-15
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.500D-07 0.106D-05-0.599D-06-0.753D-05-0.301D-04 0.213D-04
 Coeff-Com:  0.370D-03 0.791D-03-0.164D-02-0.173D-01-0.353D-01 0.968D-01
 Coeff-Com:  0.956D+00
 Coeff:     -0.500D-07 0.106D-05-0.599D-06-0.753D-05-0.301D-04 0.213D-04
 Coeff:      0.370D-03 0.791D-03-0.164D-02-0.173D-01-0.353D-01 0.968D-01
 Coeff:      0.956D+00
 Gap=     0.351 Goal=   None    Shift=    0.000
 RMSDP=4.44D-09 MaxDP=7.52D-07 DE=-8.04D-11 OVMax= 9.25D-09

 SCF Done:  E(RM11) =  -391.651961623     A.U. after   13 cycles
            NFock= 13  Conv=0.44D-08     -V/T= 2.0068
 KE= 3.890149728292D+02 PE=-2.096510705899D+03 EE= 7.206729154285D+02
 Leave Link  502 at Fri Jul  9 21:43:16 2021, MaxMem= 17179869184 cpu:            3394.8 elap:             283.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   392
 NBasis=   392 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    392 NOA=    39 NOB=    39 NVA=   353 NVB=   353

 **** Warning!!: The largest alpha MO coefficient is  0.96442705D+02

 Leave Link  801 at Fri Jul  9 21:43:17 2021, MaxMem= 17179869184 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8667 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   17179869184 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          28
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.29D-13 8.33D-09 XBig12= 1.00D+00 1.27D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.29D-13 8.33D-09 XBig12= 1.15D-01 3.31D-02.
     11 vectors produced by pass  2 Test12= 2.29D-13 8.33D-09 XBig12= 1.52D-02 1.34D-02.
     11 vectors produced by pass  3 Test12= 2.29D-13 8.33D-09 XBig12= 1.54D-03 4.97D-03.
     11 vectors produced by pass  4 Test12= 2.29D-13 8.33D-09 XBig12= 1.05D-04 1.19D-03.
     11 vectors produced by pass  5 Test12= 2.29D-13 8.33D-09 XBig12= 1.02D-05 3.18D-04.
     11 vectors produced by pass  6 Test12= 2.29D-13 8.33D-09 XBig12= 4.92D-07 9.60D-05.
     11 vectors produced by pass  7 Test12= 2.29D-13 8.33D-09 XBig12= 1.79D-08 1.50D-05.
     11 vectors produced by pass  8 Test12= 2.29D-13 8.33D-09 XBig12= 4.14D-10 2.20D-06.
     10 vectors produced by pass  9 Test12= 2.29D-13 8.33D-09 XBig12= 8.31D-12 3.01D-07.
      7 vectors produced by pass 10 Test12= 2.29D-13 8.33D-09 XBig12= 1.46D-13 3.89D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14
 Solved reduced A of dimension   116 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.129188D+03
      2 -0.775626D-01  0.115546D+03
      3  0.723398D+00 -0.187347D+00  0.111293D+03
 Isotropic polarizability for W=    0.093368      118.68 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.457701D+01 -0.196179D+02  0.118470D+02
      2  -0.640210D+01  0.917041D+01 -0.373101D+01
      3   0.109791D+02  0.104475D+02 -0.811601D+01
      4  -0.273345D+02 -0.950089D+01  0.254779D+01
      5   0.186551D+02  0.141272D+01  0.162522D+02
      6   0.827352D+00  0.452512D+01 -0.399208D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1   0.227268D+01  0.105163D+01  0.250952D+01
      2   0.332649D+01 -0.963955D+00  0.598212D+01
      3   0.407269D+01  0.270622D+01 -0.138838D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.113507D+01  0.825613D+01  0.144395D+02
      2  -0.680807D+01  0.172044D+01  0.527305D+01
      3  -0.771660D+01  0.309878D+01 -0.585372D+00
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.145993D+01 -0.913520D+00 -0.805184D+00
      2  -0.913520D+00  0.872262D+00 -0.112561D+01
      3  -0.805184D+00 -0.112561D+01  0.508020D+00
 OR G Eigenvalues:    -2.2669     0.3455     1.8417  Iso=     0.0266
 Eigenvectors:
   (1)   0.832782   0.384992   0.397813
   (2)  -0.549779   0.490844   0.675882
   (3)  -0.064945   0.781571  -0.620426
 w=    0.093368 a.u., Optical Rotation Beta=      0.0266 au.
 Molar Mass =    138.2522 grams/mole, [Alpha] ( 4880.0 A) =       10.82 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   77028 ScalPx= 7.44D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   77028 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 6.31D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.82D-14 2.78D-09 XBig12= 1.00D+00 3.69D-01.
     30 vectors produced by pass  1 Test12= 3.82D-14 2.78D-09 XBig12= 1.61D-02 1.48D-02.
     30 vectors produced by pass  2 Test12= 3.82D-14 2.78D-09 XBig12= 2.06D-03 4.49D-03.
     30 vectors produced by pass  3 Test12= 3.82D-14 2.78D-09 XBig12= 3.38D-05 5.32D-04.
     30 vectors produced by pass  4 Test12= 3.82D-14 2.78D-09 XBig12= 5.84D-07 6.75D-05.
     30 vectors produced by pass  5 Test12= 3.82D-14 2.78D-09 XBig12= 7.61D-09 6.60D-06.
     30 vectors produced by pass  6 Test12= 3.82D-14 2.78D-09 XBig12= 8.37D-11 6.91D-07.
     30 vectors produced by pass  7 Test12= 3.82D-14 2.78D-09 XBig12= 8.13D-13 6.08D-08.
     14 vectors produced by pass  8 Test12= 3.82D-14 2.78D-09 XBig12= 2.29D-14 2.09D-08.
      2 vectors produced by pass  9 Test12= 3.82D-14 2.78D-09 XBig12= 1.73D-15 4.03D-09.
      1 vectors produced by pass 10 Test12= 3.82D-14 2.78D-09 XBig12= 7.57D-16 3.16D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   257 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   77028 ScalPx= 8.67D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   77028 ScalPx= 8.67D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   77028 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.03D+04
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.129188D+03 -0.775626D-01  0.723398D+00
      2  -0.775626D-01  0.115546D+03 -0.187347D+00
      3   0.723398D+00 -0.187347D+00  0.111293D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.227268D+01  0.105163D+01  0.250952D+01
      2   0.332649D+01 -0.963955D+00  0.598212D+01
      3   0.407269D+01  0.270622D+01 -0.138838D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.457701D+01 -0.196179D+02  0.118470D+02
      2  -0.640210D+01  0.917041D+01 -0.373101D+01
      3   0.109791D+02  0.104475D+02 -0.811601D+01
      4  -0.273345D+02 -0.950089D+01  0.254779D+01
      5   0.186551D+02  0.141272D+01  0.162522D+02
      6   0.827352D+00  0.452512D+01 -0.399208D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.103914D+01 -0.294934D+01  0.116640D+01 -0.329639D+01  0.125242D+00
      2  -0.294934D+01 -0.624360D+00  0.135491D+01  0.125242D+00  0.335298D+01
      3   0.116640D+01  0.135491D+01  0.294903D+01  0.182671D+01 -0.140146D+01
                 6             7             8             9            10 
      1   0.182671D+01  0.803047D+00  0.214533D+01  0.448060D+01 -0.102274D+00
      2  -0.140146D+01  0.214533D+01 -0.233426D+01 -0.226670D+01  0.383294D+01
      3  -0.161684D+01  0.448060D+01 -0.226670D+01 -0.479794D+00  0.166783D+01
                11            12            13            14            15 
      1   0.383294D+01  0.166783D+01  0.482506D+01  0.783117D+00  0.983891D-01
      2   0.166597D+01 -0.256457D+00  0.783117D+00 -0.544514D+01  0.686762D+00
      3  -0.256457D+00 -0.209171D+01  0.983891D-01  0.686762D+00  0.124491D+01
                16            17            18            19            20 
      1   0.279786D+01 -0.499724D-01 -0.254534D+01  0.969860D+00  0.183936D+01
      2  -0.499724D-01  0.175264D+01  0.138991D+01  0.183936D+01  0.729710D+00
      3  -0.254534D+01  0.138991D+01 -0.655195D+01 -0.792292D+00 -0.353143D+01
                21            22            23            24            25 
      1  -0.792292D+00  0.240671D+01  0.583073D+00 -0.338680D+01 -0.650250D+00
      2  -0.353143D+01  0.583073D+00 -0.415949D+01  0.166843D+01 -0.412716D+01
      3  -0.723958D+00 -0.338680D+01  0.166843D+01 -0.267028D+01 -0.880861D+00
                26            27            28            29            30 
      1  -0.412716D+01 -0.880861D+00 -0.297947D+01 -0.257359D+01  0.891671D+00
      2   0.232509D+01 -0.432069D+01 -0.257359D+01 -0.216882D+01  0.488166D+01
      3  -0.432069D+01 -0.366200D+00  0.891671D+00  0.488166D+01 -0.153442D+01
                31            32            33            34            35 
      1  -0.270706D+01 -0.177318D+01  0.495431D+01  0.829832D+00  0.559669D+01
      2  -0.177318D+01  0.172808D+01  0.547268D+00  0.559669D+01 -0.841671D+00
      3   0.495431D+01  0.547268D+00  0.283850D+01 -0.164433D+01  0.235088D+01
                36            37            38            39            40 
      1  -0.164433D+01  0.524140D+01  0.513265D+01  0.336976D+01  0.611773D+01
      2   0.235088D+01  0.513265D+01  0.176882D+01 -0.166830D+01  0.274771D+01
      3  -0.833067D+00  0.336976D+01 -0.166830D+01  0.740682D+00 -0.237767D+01
                41            42            43            44            45 
      1   0.274771D+01 -0.237767D+01  0.466190D+01 -0.214994D+01  0.182154D+00
      2  -0.341896D+01  0.325574D+01 -0.214994D+01  0.470293D+01 -0.290850D+01
      3   0.325574D+01 -0.273425D+01  0.182154D+00 -0.290850D+01 -0.214167D+01
                46            47            48            49            50 
      1  -0.408422D+01 -0.346838D+01 -0.301334D+01 -0.427774D+01 -0.244441D+00
      2  -0.346838D+01 -0.504793D+00 -0.138007D+00 -0.244441D+00  0.895807D+01
      3  -0.301334D+01 -0.138007D+00 -0.133483D+01 -0.779880D-01 -0.887024D+00
                51            52            53            54            55 
      1  -0.779880D-01 -0.579535D+01 -0.452394D+00 -0.141819D+00  0.178482D+01
      2  -0.887024D+00 -0.452394D+00 -0.730802D+00 -0.214048D+01 -0.284491D+00
      3  -0.276327D+01 -0.141819D+00 -0.214048D+01  0.395368D+01  0.365107D+01
                56            57            58            59            60 
      1  -0.284491D+00  0.365107D+01 -0.633713D+00 -0.192283D+01 -0.346733D+01
      2  -0.180248D+01 -0.363607D+01 -0.192283D+01 -0.154657D+01 -0.172180D+01
      3  -0.363607D+01  0.690760D+00 -0.346733D+01 -0.172180D+01  0.252707D+01
                61            62            63            64            65 
      1   0.289115D+01 -0.269265D+01  0.611351D+00 -0.308984D+01  0.183892D+01
      2  -0.269265D+01 -0.154543D+01  0.214248D+01  0.183892D+01 -0.128084D+01
      3   0.611351D+00  0.214248D+01 -0.538597D+00  0.186291D+01 -0.110945D+01
                66            67            68            69            70 
      1   0.186291D+01  0.182159D+01 -0.171790D+01 -0.126940D+01  0.306928D+01
      2  -0.110945D+01 -0.171790D+01  0.245714D+01  0.200314D+01 -0.185965D+01
      3  -0.193202D+01 -0.126940D+01  0.200314D+01  0.174902D+01 -0.321610D+01
                71            72            73            74            75 
      1  -0.185965D+01 -0.321610D+01  0.184143D+01 -0.407097D+01 -0.303555D+01
      2   0.277594D+01  0.253773D+01 -0.407097D+01 -0.197472D+01  0.687178D+00
      3   0.253773D+01  0.439955D+01 -0.303555D+01  0.687178D+00  0.247711D+01
                76            77            78            79            80 
      1  -0.578242D+01 -0.418720D+00  0.562627D+00 -0.391326D+01  0.247657D+00
      2  -0.418720D+00  0.658316D+01 -0.214452D+01  0.247657D+00 -0.242419D+01
      3   0.562627D+00 -0.214452D+01 -0.616235D+00  0.328359D+01  0.656979D-02
                81            82            83            84            85 
      1   0.328359D+01  0.552449D+00 -0.635904D+00  0.101424D+01 -0.913718D+00
      2   0.656979D-02 -0.635904D+00 -0.121187D+00 -0.296033D-01 -0.195711D+00
      3   0.507090D+01  0.101424D+01 -0.296033D-01  0.595600D+00  0.833602D-01
                86            87            88            89            90 
      1  -0.195711D+00  0.833602D-01  0.182147D+01  0.277349D+00  0.479935D+00
      2  -0.326392D+00  0.117243D+01  0.277349D+00  0.111680D+01 -0.130431D+01
      3   0.117243D+01 -0.120260D+01  0.479935D+00 -0.130431D+01  0.816102D+01
                91            92            93            94            95 
      1   0.610889D+01  0.323885D+01 -0.265198D+01  0.253834D+01  0.234702D+01
      2   0.323885D+01  0.299292D+01 -0.203089D+01  0.234702D+01  0.362675D+01
      3  -0.265198D+01 -0.203089D+01  0.233471D+01 -0.169299D+01 -0.170591D+01
                96            97            98            99           100 
      1  -0.169299D+01 -0.205135D+01 -0.169735D+01  0.231371D+01 -0.198855D+01
      2  -0.170591D+01 -0.169735D+01 -0.148571D+01  0.164869D+01 -0.488830D+01
      3   0.128680D+01  0.231371D+01  0.164869D+01 -0.259588D+01 -0.336924D+01
               101           102           103           104           105 
      1  -0.488830D+01 -0.336924D+01 -0.522318D+01 -0.194417D+01  0.124543D+01
      2  -0.130566D+01  0.970891D+00 -0.194417D+01  0.126524D+01 -0.422575D+01
      3   0.970891D+00  0.513043D+00  0.124543D+01 -0.422575D+01  0.312536D+01
               106           107           108           109           110 
      1  -0.294023D+01  0.142462D+01  0.511480D+00 -0.244445D+01 -0.467741D+01
      2   0.142462D+01 -0.336751D+01  0.274056D+01 -0.467741D+01 -0.976133D+00
      3   0.511480D+00  0.274056D+01  0.155869D+01 -0.216808D+01  0.129273D+01
               111           112           113           114           115 
      1  -0.216808D+01 -0.578505D+01 -0.269971D+01  0.166279D+01 -0.252476D+01
      2   0.129273D+01 -0.269971D+01  0.338504D+01 -0.273647D+01  0.143108D+01
      3   0.379054D+00  0.166279D+01 -0.273647D+01  0.284756D+01 -0.545687D+00
               116           117           118           119           120 
      1   0.143108D+01 -0.545687D+00  0.101651D+00 -0.116538D+01  0.485779D+00
      2  -0.325310D+01  0.344714D+01 -0.116538D+01  0.555493D+00 -0.119888D+00
      3   0.344714D+01  0.433251D+01  0.485779D+00 -0.119888D+00  0.127054D+00
               121           122           123           124           125 
      1  -0.152167D+01 -0.320045D+00  0.116913D+00  0.786383D+00  0.900402D-01
      2  -0.320045D+00 -0.111892D+02  0.117956D+00  0.900402D-01  0.337365D+00
      3   0.116913D+00  0.117956D+00 -0.827983D+00 -0.940670D-01 -0.118355D+01
               126           127           128           129           130 
      1  -0.940670D-01  0.223777D+01 -0.105463D+01 -0.212584D+01 -0.112062D+01
      2  -0.118355D+01 -0.105463D+01  0.128514D+01  0.128264D+01  0.111777D+01
      3  -0.768568D-01 -0.212584D+01  0.128264D+01  0.273442D+01  0.122399D+01
               131           132           133           134           135 
      1   0.111777D+01  0.122399D+01 -0.174528D+01  0.958642D+00  0.213054D+01
      2  -0.182444D+01 -0.179365D+01  0.958642D+00 -0.152461D+01 -0.234823D+01
      3  -0.179365D+01 -0.281507D+01  0.213054D+01 -0.234823D+01 -0.608433D+01
               136           137           138           139           140 
      1  -0.493052D+01  0.455192D+00 -0.333078D+01  0.102323D+01 -0.718016D+00
      2   0.455192D+00 -0.801503D+00  0.692148D+00 -0.718016D+00  0.718347D+00
      3  -0.333078D+01  0.692148D+00 -0.366202D+01  0.997922D+00 -0.821157D+00
               141           142           143           144           145 
      1   0.997922D+00 -0.244957D+01  0.478699D+00 -0.247261D+01 -0.354261D+01
      2  -0.821157D+00  0.478699D+00 -0.497349D+00  0.200608D+00  0.186334D+01
      3   0.936702D+00 -0.247261D+01  0.200608D+00 -0.423551D+01  0.126942D+01
               146           147           148           149           150 
      1   0.186334D+01  0.126942D+01  0.207882D+01 -0.100761D+01 -0.655370D+00
      2  -0.132615D+01 -0.957553D+00 -0.100761D+01  0.168130D+01  0.153154D+01
      3  -0.957553D+00 -0.246414D+01 -0.655370D+00  0.153154D+01  0.135675D+01
               151           152           153           154           155 
      1   0.133034D+01 -0.758030D+00 -0.141861D+01  0.659411D+01  0.303170D+01
      2  -0.758030D+00  0.126443D+01  0.928863D+00  0.303170D+01  0.229820D+01
      3  -0.141861D+01  0.928863D+00  0.222515D+01  0.270967D+01  0.105556D+01
               156           157           158           159           160 
      1   0.270967D+01  0.362138D+01  0.259830D+01  0.126473D+01  0.989186D+00
      2   0.105556D+01  0.259830D+01  0.256077D+01  0.166577D+01  0.348204D+00
      3   0.231838D+01  0.126473D+01  0.166577D+01  0.120881D+01  0.130809D+01
               161           162           163           164           165 
      1   0.348204D+00  0.130809D+01  0.114076D+01 -0.418778D+00  0.141920D+01
      2   0.653130D+00  0.582024D+00 -0.418778D+00  0.665962D+00 -0.464127D+00
      3   0.582024D+00  0.917853D+00  0.141920D+01 -0.464127D+00  0.793317D+00
               166           167           168           169           170 
      1  -0.113743D+01  0.132700D+01 -0.137856D+01  0.120649D+01 -0.733536D+00
      2   0.132700D+01 -0.417489D+01  0.332974D+01 -0.733536D+00  0.216516D+01
      3  -0.137856D+01  0.332974D+01 -0.459969D+01  0.118563D+01 -0.268676D+01
               171           172           173           174           175 
      1   0.118563D+01  0.198354D+00  0.172551D+00 -0.924908D+00  0.330337D-01
      2  -0.268676D+01  0.172551D+00  0.812130D-01  0.145826D+00  0.767181D+00
      3   0.468962D+01 -0.924908D+00  0.145826D+00  0.378192D+00  0.307735D+00
               176           177           178           179           180 
      1   0.767181D+00  0.307735D+00 -0.210624D+01  0.792027D+00  0.131972D+01
      2  -0.164013D+01 -0.119620D+01  0.792027D+00 -0.150885D+01 -0.224917D+01
      3  -0.119620D+01 -0.188461D+01  0.131972D+01 -0.224917D+01 -0.648479D+01
               181           182           183           184           185 
      1   0.165238D+01 -0.966614D+00  0.849116D+00 -0.210350D+01  0.307306D+01
      2  -0.966614D+00  0.100298D+01 -0.513611D+00  0.307306D+01 -0.661407D+01
      3   0.849116D+00 -0.513611D+00  0.261705D+00 -0.981336D+00  0.231615D+01
               186           187           188           189           190 
      1  -0.981336D+00  0.214706D+01 -0.158500D+01  0.110892D+01  0.921933D+01
      2   0.231615D+01 -0.158500D+01  0.317833D+01 -0.220221D+01  0.208664D+01
      3  -0.198946D+01  0.110892D+01 -0.220221D+01  0.175831D+01  0.340039D+00
               191           192           193           194           195 
      1   0.208664D+01  0.340039D+00  0.517476D+01  0.214599D+01 -0.136697D+00
      2   0.153392D+01  0.206757D-01  0.214599D+01  0.154042D+01  0.370767D+00
      3   0.206757D-01  0.814497D+00 -0.136697D+00  0.370767D+00  0.511692D+00
               196           197           198           199           200 
      1   0.103880D+01 -0.756693D-01  0.123039D+01 -0.476172D+01  0.107386D+01
      2  -0.756693D-01  0.515430D+00  0.558035D-01  0.107386D+01 -0.114060D+01
      3   0.123039D+01  0.558035D-01 -0.950584D-01 -0.221831D+01  0.382374D+00
               201           202           203           204           205 
      1  -0.221831D+01  0.728264D+00 -0.909924D+00  0.133936D+00 -0.346229D+01
      2   0.382374D+00 -0.909924D+00  0.174911D+00 -0.526562D+00  0.319538D+00
      3  -0.175914D+01  0.133936D+00 -0.526562D+00  0.429426D+00 -0.227747D+01
               206           207           208           209           210 
      1   0.319538D+00 -0.227747D+01 -0.126547D+01  0.138921D+01 -0.731285D+00
      2  -0.130008D+01  0.937505D+00  0.138921D+01 -0.181300D+01  0.108585D+01
      3   0.937505D+00 -0.252259D+01 -0.731285D+00  0.108585D+01 -0.459101D+00
               211           212           213           214           215 
      1   0.980898D+00 -0.143198D+01  0.788630D+00 -0.113573D+01  0.137342D+01
      2  -0.143198D+01  0.803206D+01 -0.326227D+01  0.137342D+01 -0.504235D+01
      3   0.788630D+00 -0.326227D+01  0.225942D+01 -0.566503D+00  0.368580D+01
               216           217           218           219           220 
      1  -0.566503D+00  0.174828D+01  0.987416D+00  0.122468D+01  0.740877D+00
      2   0.368580D+01  0.987416D+00  0.190056D+01  0.124782D+01  0.115658D+01
      3  -0.318548D+01  0.122468D+01  0.124782D+01  0.126386D+01  0.864869D+00
               221           222           223           224           225 
      1   0.115658D+01  0.864869D+00  0.162686D+01  0.123293D+01  0.132387D+01
      2   0.444255D+01  0.192816D+01  0.123293D+01  0.316164D+01  0.286601D+01
      3   0.192816D+01  0.188213D+01  0.132387D+01  0.286601D+01  0.348526D+01
               226           227           228           229           230 
      1  -0.162200D+01  0.143721D+00 -0.100407D+01  0.705914D+00 -0.355838D+00
      2   0.143721D+00 -0.720361D-01 -0.237397D+00 -0.355838D+00 -0.755904D+00
      3  -0.100407D+01 -0.237397D+00 -0.140365D+01 -0.116157D+00 -0.659953D+00
               231           232           233           234           235 
      1  -0.116157D+00 -0.259737D+01 -0.877599D+00 -0.233393D+01 -0.931413D+01
      2  -0.659953D+00 -0.877599D+00 -0.133219D+01 -0.687254D+00  0.726615D+00
      3   0.121152D-01 -0.233393D+01 -0.687254D+00 -0.641011D+01  0.294086D+01
               236           237           238           239           240 
      1   0.726615D+00  0.294086D+01  0.334617D+01 -0.110790D+01 -0.862239D+00
      2  -0.102040D+01 -0.330791D+00 -0.110790D+01  0.330627D+00  0.766291D+00
      3  -0.330791D+00 -0.192238D+01 -0.862239D+00  0.766291D+00  0.798609D+00
               241           242           243           244           245 
      1   0.424480D+01 -0.945480D-01 -0.265838D+01 -0.305391D+00 -0.659167D+00
      2  -0.945480D-01  0.109191D+01  0.239759D+00 -0.659167D+00  0.451793D+00
      3  -0.265838D+01  0.239759D+00  0.154765D+01  0.503029D+00 -0.766877D-01
               246           247           248           249           250 
      1   0.503029D+00 -0.164024D+01 -0.200404D+01  0.270193D+00  0.112723D+01
      2  -0.766877D-01 -0.200404D+01 -0.974222D+01  0.172257D+01  0.437276D+00
      3  -0.840471D-01  0.270193D+00  0.172257D+01 -0.129458D+01 -0.674282D+00
               251           252 
      1   0.437276D+00 -0.674282D+00
      2   0.214730D+01 -0.146249D+01
      3  -0.146249D+01  0.501675D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.499310D+01 -0.358168D+01 -0.382430D+01 -0.403071D+01  0.672538D+01
      2  -0.355239D+01 -0.234435D+01 -0.646990D+01 -0.272132D+01  0.319766D+01
      3  -0.795685D+01 -0.105394D+02  0.642924D+01 -0.329596D+01  0.729679D+01
                 6             7             8             9            10 
      1   0.754463D+00 -0.484727D+01  0.594906D+01 -0.330875D+00  0.466610D+01
      2   0.409594D+01 -0.151917D+02  0.517383D+01  0.965490D-01 -0.389888D+01
      3  -0.109627D+00  0.779216D+01 -0.839730D+00  0.760549D+00  0.869763D+01
                11            12            13            14            15 
      1   0.240336D+01 -0.149494D+01  0.195834D+01 -0.392339D+01 -0.100040D+01
      2  -0.130769D+01  0.486053D+01 -0.178993D+01 -0.278203D+01 -0.204621D+01
      3  -0.452696D+01 -0.266784D+01  0.306180D+01 -0.118426D+02  0.172886D+01
                16            17            18            19            20 
      1  -0.687500D+00  0.655169D+01 -0.487385D+01  0.215590D+01  0.109072D+02
      2   0.259791D+00 -0.248443D+01  0.152771D+02 -0.206919D+01  0.143471D+01
      3  -0.297592D+01  0.326367D+01  0.230942D+01  0.349268D+01  0.444874D+01
                21            22            23            24            25 
      1   0.295564D+01  0.104646D+02 -0.355683D+01  0.574040D+01  0.439955D+01
      2   0.224068D+01  0.156601D+01 -0.274044D-01 -0.498121D+00 -0.228400D+01
      3  -0.264650D+01  0.116452D+02  0.714990D-01 -0.853566D+01 -0.320813D+01
                26            27            28            29            30 
      1   0.147621D+02  0.358923D+01  0.958112D+00 -0.796207D+01 -0.522489D+01
      2  -0.142441D+01  0.151694D+01 -0.379543D+00  0.397168D+01  0.175215D+01
      3  -0.972494D+01 -0.285497D+01  0.181268D+01 -0.574744D+01 -0.191672D+01
                31            32            33            34            35 
      1  -0.751158D+01 -0.266008D+01 -0.815417D+01 -0.369044D+01 -0.107013D+01
      2   0.357584D+01  0.173279D+00  0.878525D+01 -0.515090D+01  0.105956D+02
      3   0.975730D+00 -0.409385D+01  0.655537D+01 -0.428806D+01  0.813819D+01
                36            37            38            39            40 
      1  -0.302059D+01  0.491866D+01  0.629073D+00 -0.562169D-01  0.228903D+01
      2  -0.186927D+01  0.494749D+01 -0.460579D+01  0.413976D+01 -0.649106D+01
      3  -0.392859D+01 -0.126181D+02 -0.113289D+02  0.160943D+01 -0.317804D+01
                41            42            43            44            45 
      1   0.653987D+00 -0.414364D+01 -0.991838D+00  0.515788D+01 -0.382109D+01
      2   0.716082D+01 -0.690894D+01 -0.716662D+01 -0.698583D+01 -0.622990D+01
      3   0.446197D+01 -0.574383D+01  0.126615D+01 -0.908369D+01  0.702444D+01
                46            47            48            49            50 
      1  -0.621507D+01 -0.833645D+00 -0.111796D+01  0.177358D+00 -0.122551D+00
      2  -0.153911D+01 -0.115027D+01  0.945419D+00 -0.687290D-01  0.290718D+00
      3   0.477771D+01  0.265712D+01  0.348690D+01  0.114530D+02  0.346760D+01
                51            52            53            54            55 
      1  -0.795503D+01 -0.295683D+01 -0.184685D+01  0.959781D+01  0.301989D+01
      2   0.248945D+01 -0.580977D+01 -0.138167D+00 -0.263816D+01  0.546855D+01
      3   0.510033D+00  0.676652D+01  0.370145D+00 -0.872556D+00 -0.612799D+00
                56            57            58            59            60 
      1   0.596645D+01  0.103987D+02  0.251796D+01  0.287591D+01  0.507092D+01
      2  -0.254534D+01  0.141925D+02 -0.268135D+01 -0.718704D+01 -0.110679D+02
      3  -0.180379D+01 -0.258207D+01  0.313901D+01  0.114029D+01  0.151666D+01
                61            62            63            64            65 
      1   0.887719D+01  0.878834D+01 -0.778885D+01 -0.189384D+01  0.348582D+00
      2   0.522407D+01 -0.773021D+01  0.827684D+00 -0.194687D+01  0.163069D+01
      3  -0.144188D+01  0.138974D+01  0.207227D+00 -0.132835D+01 -0.171187D+01
                66            67            68            69            70 
      1   0.309637D+01  0.145501D+01 -0.117756D+01 -0.311077D+01  0.399117D+01
      2   0.489820D+01  0.129994D+01 -0.366495D+01 -0.391964D+01  0.316970D+01
      3   0.319324D+00  0.166349D+01  0.271126D+01  0.160259D+01  0.170183D+01
                71            72            73            74            75 
      1   0.470226D-01 -0.619666D+01 -0.628482D+01 -0.576375D+00  0.393120D+01
      2  -0.432957D+01 -0.861605D+01  0.107913D+02 -0.139723D+00 -0.553879D+01
      3   0.443742D+01  0.197249D+00 -0.176894D+02 -0.168249D+01  0.665075D+01
                76            77            78            79            80 
      1  -0.126092D-01 -0.295789D+01 -0.261649D+01  0.580621D+01  0.187976D+01
      2  -0.154964D+00  0.717459D+01  0.135059D+01 -0.134746D+02 -0.153276D+01
      3   0.106798D+02  0.237262D+02 -0.839857D+01  0.641834D+01 -0.776468D+01
                81            82            83            84            85 
      1   0.779842D+01  0.373497D+00 -0.203137D+00  0.599847D+00 -0.117351D+00
      2  -0.178639D+02 -0.331989D+01  0.243586D+00 -0.146995D+01  0.678397D+00
      3  -0.463169D+01 -0.215440D+01 -0.261847D+00 -0.516442D+00  0.234239D+01
                86            87            88            89            90 
      1   0.480918D+00 -0.697002D+00  0.966832D+00  0.294819D+01  0.476780D+01
      2  -0.174284D+01  0.170240D+01 -0.657638D+01  0.156482D+01 -0.149260D+02
      3   0.453651D+00  0.207954D+01 -0.135898D+01  0.192326D+01 -0.162225D+01
                91            92            93            94            95 
      1  -0.369538D+00 -0.163035D+01 -0.193327D+01 -0.576553D+00 -0.275931D+01
      2   0.444381D+01  0.103966D+01  0.240813D+01  0.180652D+01  0.775024D+00
      3   0.574408D+01 -0.226882D+01 -0.103931D+01  0.318061D+01 -0.178656D+01
                96            97            98            99           100 
      1  -0.162094D+01 -0.116098D+01  0.172615D+01  0.260452D+01 -0.102659D+02
      2   0.814985D+00 -0.168411D+01 -0.402068D+00 -0.147650D+01 -0.196044D+01
      3  -0.351331D+00 -0.198328D+01  0.140194D+00  0.129930D+01  0.880488D+01
               101           102           103           104           105 
      1  -0.245628D+01  0.206251D+01 -0.548576D+01  0.268929D+01 -0.138810D+02
      2   0.124356D+02  0.124453D+02  0.141327D+02 -0.436723D+01  0.326288D+01
      3  -0.533294D+00 -0.285883D+01  0.490669D+01 -0.254199D+01  0.837838D+01
               106           107           108           109           110 
      1   0.367959D+01 -0.632586D+01  0.642971D+01 -0.822555D+00  0.183818D+01
      2   0.603484D+01  0.191174D+01  0.119034D+01 -0.705629D+01  0.266227D+01
      3  -0.362735D+01  0.662693D+01 -0.491631D+01  0.187336D+02  0.844821D+01
               111           112           113           114           115 
      1  -0.338220D+00  0.264155D+01 -0.458058D+01  0.299163D+01 -0.248218D+01
      2   0.184223D+01  0.240216D+01 -0.892960D+01  0.108895D+02 -0.688722D+01
      3  -0.190155D+01  0.178224D+02 -0.907078D+01  0.647260D+01 -0.150611D+01
               116           117           118           119           120 
      1   0.804148D+01  0.567288D+01  0.120482D+01 -0.148288D+00 -0.307615D-01
      2   0.127840D+02  0.160010D+02 -0.438500D+00 -0.213296D+00  0.111083D+01
      3   0.713789D+01 -0.106893D+02 -0.100568D+00  0.380868D-01 -0.528152D+00
               121           122           123           124           125 
      1   0.331272D+00  0.272715D+01 -0.564740D+01  0.165074D+00 -0.536638D+00
      2  -0.296394D-01 -0.643971D+00  0.295444D+00 -0.149006D+01  0.208414D+00
      3   0.712154D+01 -0.133334D+01 -0.101086D+00 -0.136547D+01 -0.204713D+00
               126           127           128           129           130 
      1   0.436109D-01  0.213756D+01 -0.414880D+01 -0.192900D+01 -0.276578D+01
      2   0.124399D-01  0.745764D+01 -0.280693D+01 -0.338982D+01 -0.386642D+01
      3  -0.289057D-01 -0.165951D+01 -0.579805D+00  0.843011D+00  0.234680D+01
               131           132           133           134           135 
      1   0.442232D+01  0.112645D+01 -0.183168D+01  0.431931D+01  0.280048D+01
      2   0.271359D+01  0.259495D+01 -0.643799D+01  0.242835D+01  0.297056D+01
      3  -0.100782D+00 -0.212682D+00  0.138514D+01  0.517514D+00 -0.669755D+00
               136           137           138           139           140 
      1  -0.212121D+01  0.421866D+01 -0.265137D+01  0.203853D+01 -0.253213D+01
      2  -0.150245D+02  0.130943D+01 -0.523107D+01  0.341964D+01 -0.159768D+01
      3   0.136224D+01 -0.271729D+01  0.128673D+01  0.541757D+00  0.641274D+00
               141           142           143           144           145 
      1   0.315091D+00 -0.157270D+01  0.291811D+01 -0.113774D+01  0.444741D+01
      2   0.206260D+01 -0.763265D+01  0.802947D+00 -0.429631D+01  0.139860D+02
      3  -0.349647D+00  0.330457D+00 -0.181184D+01  0.941740D+00 -0.544584D+01
               146           147           148           149           150 
      1  -0.452731D+01 -0.487211D+00 -0.341550D+01  0.463709D+01  0.131329D+01
      2  -0.630712D+01 -0.489642D+01 -0.721771D+01  0.509419D+01  0.283044D+01
      3   0.172406D+01  0.168062D+01  0.434948D+01 -0.269440D+01 -0.230583D+01
               151           152           153           154           155 
      1  -0.137743D+01  0.361933D+01  0.886462D+00  0.625535D+01  0.563413D+01
      2  -0.743104D+01  0.345716D+01  0.544186D+01 -0.913448D+01 -0.429267D+01
      3   0.224860D+01 -0.131123D+01 -0.188952D+01 -0.246163D+01 -0.561537D+01
               156           157           158           159           160 
      1   0.612963D+00  0.502534D+01  0.547190D+01  0.144921D+01  0.603145D+00
      2   0.154987D+01 -0.615890D+01 -0.214432D+01  0.762190D+00 -0.161463D+01
      3  -0.144917D+01 -0.159221D+01 -0.490710D+01 -0.241232D+01 -0.196403D-01
               161           162           163           164           165 
      1   0.229146D+01  0.937804D+00 -0.853161D+00  0.198226D+01 -0.968062D+00
      2  -0.345322D+00 -0.101222D+01  0.423643D+00 -0.100364D+00 -0.275024D+00
      3  -0.117870D+01 -0.443952D+00  0.622477D+00 -0.191299D+01  0.102060D+01
               166           167           168           169           170 
      1   0.291273D+01 -0.109846D+02  0.512640D+01 -0.195545D+01  0.761612D+01
      2   0.143659D+01  0.340704D+01 -0.612211D+01 -0.260586D+01 -0.288231D+01
      3  -0.874619D-01  0.738052D+01 -0.556110D+01  0.498593D+00 -0.428643D+01
               171           172           173           174           175 
      1  -0.593271D+01 -0.168598D+01  0.641139D-01 -0.950975D-01  0.592021D-03
      2   0.566093D+01 -0.333367D+01  0.860227D+00  0.309806D+00  0.435778D+00
      3   0.466528D+01 -0.468693D-01 -0.107588D+01  0.785239D+00 -0.768759D+00
               176           177           178           179           180 
      1   0.865061D-01 -0.305611D+01  0.297946D+00  0.381643D+00 -0.843270D+01
      2  -0.297352D+01 -0.586835D+01 -0.158157D+01 -0.603178D+01 -0.208494D+02
      3   0.360344D+01  0.303916D+01  0.139524D+01  0.412788D+01  0.587477D+01
               181           182           183           184           185 
      1   0.133047D+01 -0.962349D+00  0.843927D+00 -0.182582D+01  0.382634D+01
      2   0.284089D+01 -0.195990D+01  0.213228D+01 -0.242089D+01  0.775406D+01
      3   0.129352D+01 -0.369067D+01  0.623376D+00 -0.391335D+01  0.168424D+02
               186           187           188           189           190 
      1  -0.594002D+01  0.126113D+01 -0.211414D+01  0.390532D+01 -0.365734D+00
      2  -0.730832D+01  0.182634D+01 -0.642267D+01  0.557311D+01  0.326552D+01
      3  -0.587262D+01  0.763155D+00 -0.827197D+01  0.543829D+01 -0.159907D+02
               191           192           193           194           195 
      1  -0.398758D+00  0.255072D+00 -0.619150D+00 -0.132863D+00 -0.104362D+01
      2   0.104170D+01  0.558671D+01  0.928124D+00  0.185344D+01  0.270694D+01
      3  -0.101504D+02 -0.498127D+00 -0.955856D+01 -0.839914D+01 -0.118210D+01
               196           197           198           199           200 
      1   0.103835D+01  0.437361D+00 -0.290043D+00  0.379213D+01  0.302747D+00
      2   0.246911D+01  0.370805D-01  0.297423D-01  0.521888D+01 -0.961959D+00
      3  -0.528960D+00 -0.182888D+01 -0.119755D+01 -0.497996D+01 -0.319731D+01
               201           202           203           204           205 
      1   0.312033D+01 -0.153841D+00  0.518776D+00 -0.168173D+01  0.313907D+01
      2   0.665803D+01 -0.259789D+00  0.145987D+01 -0.110879D+01  0.412877D+01
      3  -0.260332D+01  0.368858D+00 -0.170979D+01 -0.833182D+00 -0.484992D+01
               206           207           208           209           210 
      1  -0.560845D-01  0.476656D+01  0.117066D+01 -0.257759D+01  0.150609D+01
      2  -0.195795D+01  0.767554D+01 -0.747900D+00  0.277954D+00  0.113892D+01
      3  -0.357960D+01 -0.146783D+01 -0.340567D+01  0.101844D+01 -0.140248D+01
               211           212           213           214           215 
      1  -0.157739D+01  0.493946D+01 -0.735074D+01  0.357735D+00 -0.533779D+01
      2   0.109766D+01  0.193557D+00 -0.898034D+00 -0.197197D+01 -0.170923D+00
      3   0.448411D+01 -0.821943D+00  0.908010D+00 -0.409772D+01  0.142387D+01
               216           217           218           219           220 
      1   0.784348D+01 -0.371131D+01 -0.312871D+01 -0.468014D+01 -0.245493D+01
      2   0.695159D+00 -0.620400D-03 -0.285028D+00  0.847138D+00 -0.942195D+00
      3   0.303767D-01  0.572064D+01  0.683783D+00  0.359483D+01  0.351029D+01
               221           222           223           224           225 
      1  -0.491448D+01 -0.669310D+01 -0.425755D+01 -0.583914D+01 -0.118132D+02
      2  -0.632674D+00  0.337368D+00 -0.220962D+01 -0.336625D+00 -0.930586D+00
      3   0.290798D+01  0.271818D+01  0.637228D+01  0.341586D+01  0.377938D+01
               226           227           228           229           230 
      1  -0.157120D+01  0.189743D+00 -0.219362D+01 -0.224151D+00 -0.881919D+00
      2   0.297701D+01  0.754878D+00  0.510233D+01  0.521385D+00  0.190986D+01
      3   0.235159D+01 -0.124512D+01  0.706893D+00 -0.673976D+00 -0.142738D+01
               231           232           233           234           235 
      1  -0.838285D+00 -0.296673D+01  0.187952D+01 -0.103602D+02  0.409777D+01
      2  -0.290553D+00  0.401726D+01  0.157048D+01  0.224021D+02 -0.542216D+01
      3  -0.160810D+01  0.120465D+01 -0.381704D+01  0.150798D+01  0.151454D+02
               236           237           238           239           240 
      1  -0.152374D+01 -0.245550D+01 -0.122962D+01  0.148107D+01  0.544066D+00
      2   0.100497D+01  0.805021D+01  0.121295D+01 -0.203563D+01 -0.301917D+01
      3  -0.729716D+01 -0.533789D+01 -0.618874D+01  0.327653D+01  0.347651D+01
               241           242           243           244           245 
      1  -0.308775D+01  0.211874D+01  0.164607D+01  0.625114D+00  0.174572D+00
      2   0.503626D+01 -0.936775D+00 -0.422132D+01 -0.163693D+01  0.254553D+00
      3  -0.585659D+01  0.475603D+01  0.418276D+01 -0.206916D+01  0.109185D+01
               246           247           248           249           250 
      1   0.979264D-01 -0.170847D+00 -0.253470D+00 -0.464607D+01 -0.755889D+00
      2   0.704622D+00  0.289255D+00 -0.442880D+01  0.407520D+01  0.448380D+00
      3  -0.991155D+00  0.250225D+00 -0.272949D+02  0.495919D+01 -0.103510D+01
               251           252 
      1  -0.530104D+00  0.610989D+00
      2   0.362056D+01 -0.808880D+00
      3   0.603485D+01 -0.300558D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.402996D+01  0.934595D+01 -0.116387D+02  0.717503D+01 -0.192617D+01
      2   0.218329D+01 -0.660903D+01  0.650934D+01 -0.519632D+01  0.478201D+01
      3   0.184667D+01 -0.273692D+01  0.512932D+01 -0.197871D+01 -0.285584D+01
      4   0.143771D+02 -0.500575D+01  0.199318D-01 -0.869891D+01 -0.105967D+02
      5  -0.315398D+01 -0.528161D+01 -0.147911D+02 -0.696476D+01  0.541249D+01
      6   0.347393D+00  0.702908D+01  0.882038D+01  0.764778D+01 -0.597857D+01
                 6             7             8             9            10 
      1  -0.208823D-01 -0.148240D+02 -0.144665D+01 -0.133018D+02 -0.243765D+01
      2  -0.122081D+01  0.995506D+01  0.197780D+01  0.706712D+01 -0.164282D+01
      3   0.124169D+01  0.486889D+01 -0.531148D+00  0.623471D+01  0.408047D+01
      4   0.854223D+01 -0.122367D+01  0.124414D+02  0.197723D+02 -0.204236D+02
      5   0.803995D+01 -0.221685D+02  0.134387D+02  0.427846D+01 -0.475985D+01
      6  -0.658581D+01  0.143829D+02 -0.791559D+01 -0.738748D+01 -0.908613D+00
                11            12            13            14            15 
      1  -0.122853D+02 -0.360358D+01 -0.164192D+02 -0.774467D+01 -0.206550D+01
      2   0.211559D+01  0.159472D+01  0.635884D+01  0.796395D+01  0.456967D+00
      3   0.101697D+02  0.200886D+01  0.100604D+02 -0.219283D+00  0.160854D+01
      4  -0.123281D+02 -0.260450D+01 -0.114648D+02  0.128609D+02 -0.946737D+00
      5   0.212298D+01  0.497523D+01  0.147426D+01 -0.145255D+01 -0.326461D+01
      6  -0.222503D+01  0.682756D+00 -0.988747D+00 -0.117753D+01 -0.202954D+01
                16            17            18            19            20 
      1  -0.346787D+01 -0.380660D+01  0.207888D+02 -0.552721D+01 -0.527187D+01
      2   0.182916D+01 -0.299031D+01  0.262592D+01  0.559352D+01  0.695558D+00
      3   0.163870D+01  0.679691D+01 -0.234147D+02 -0.663016D-01  0.457631D+01
      4  -0.461396D+01 -0.548567D+01 -0.178747D+01  0.588433D+00 -0.315439D+01
      5   0.124539D+02 -0.301863D+01  0.146447D+02 -0.278887D+01  0.640420D+00
      6   0.160240D+01  0.831808D+00  0.127053D+02 -0.327133D+01 -0.155549D+02
                21            22            23            24            25 
      1   0.116166D+02 -0.714306D+01  0.180860D+02 -0.589668D+01  0.161429D+02
      2  -0.169794D+02  0.380813D+01 -0.215934D+02  0.752545D+01 -0.194250D+02
      3   0.536282D+01  0.333493D+01  0.350743D+01 -0.162878D+01  0.328208D+01
      4  -0.211100D+01  0.179421D+01  0.446898D+01 -0.137142D+02 -0.375011D+01
      5  -0.161268D+01  0.102301D+01 -0.686144D+01  0.430964D+00  0.519316D+00
      6   0.101572D+01 -0.143814D+02  0.127570D+02 -0.174205D+02 -0.296721D+01
                26            27            28            29            30 
      1  -0.873278D+01  0.168206D+02 -0.518843D+01 -0.156850D+01 -0.203970D+01
      2   0.108594D+02 -0.222243D+02  0.337474D+01  0.104845D+02  0.905802D+01
      3  -0.212664D+01  0.540377D+01  0.181370D+01 -0.891600D+01 -0.701832D+01
      4  -0.157367D+02 -0.338591D+01 -0.140077D+02 -0.142347D+02  0.132895D+02
      5  -0.571034D+00 -0.425418D+01  0.108260D+02  0.116392D+02 -0.111543D+02
      6  -0.271511D+02  0.163509D+01  0.852293D+01  0.119046D+02 -0.129579D+02
                31            32            33            34            35 
      1   0.138971D+01 -0.645173D+01  0.757201D+01 -0.302578D+01  0.132099D+02
      2   0.528069D+01  0.115998D+02 -0.512833D+01  0.831420D+01 -0.598465D+01
      3  -0.667040D+01 -0.514802D+01 -0.244367D+01 -0.528842D+01 -0.722529D+01
      4  -0.134950D+02 -0.565417D+01  0.623310D+01  0.179440D+02  0.695444D+01
      5   0.850412D+01  0.209753D+01 -0.338250D+01 -0.904893D+01 -0.328849D+01
      6   0.825678D+01  0.178841D+01 -0.585315D+01 -0.966145D+01  0.162099D+00
                36            37            38            39            40 
      1  -0.592992D+01  0.577944D+01  0.160957D+02  0.133538D+02  0.179054D+02
      2   0.860941D+01 -0.108126D+02 -0.104283D+02 -0.629323D+01 -0.941448D+01
      3  -0.267950D+01  0.503313D+01 -0.566743D+01 -0.706062D+01 -0.849091D+01
      4  -0.280169D+00  0.145918D+02 -0.253559D+00 -0.982869D+01  0.160351D+01
      5  -0.822914D+00  0.144977D+02 -0.381921D+01  0.682388D+01 -0.250836D+01
      6  -0.449663D+00 -0.165259D+01  0.564889D+00  0.268673D+01  0.295109D+01
                41            42            43            44            45 
      1  -0.150722D+01 -0.202562D+01  0.153288D+02 -0.455859D+01  0.607744D+01
      2  -0.113945D+00  0.586942D+01 -0.761257D+01  0.326055D+01 -0.509518D+00
      3   0.162117D+01 -0.384380D+01 -0.771620D+01  0.129804D+01 -0.556792D+01
      4  -0.511804D+01  0.958842D+01 -0.122912D+02  0.900030D+01 -0.110783D+02
      5   0.119754D+02 -0.745758D+01  0.354251D+01 -0.948147D+01 -0.568326D+01
      6  -0.617046D+00  0.611759D+01 -0.181462D+01 -0.645178D-01 -0.197805D+01
                46            47            48            49            50 
      1  -0.101219D+02 -0.210828D+00 -0.261463D+01  0.100576D+01  0.241879D+02
      2   0.627013D+01  0.464909D+01  0.416349D+01  0.104405D+01 -0.379012D+02
      3   0.385175D+01 -0.443826D+01 -0.154886D+01 -0.204981D+01  0.137133D+02
      4   0.365116D+01  0.280373D+01  0.311411D+01  0.405746D+01  0.185840D+01
      5  -0.525426D+01 -0.384895D+01 -0.356266D+01 -0.488444D+01 -0.699448D+01
      6   0.475590D+00  0.677216D+00 -0.421082D+01 -0.300740D+01 -0.326683D+01
                51            52            53            54            55 
      1  -0.710947D+01 -0.116876D+01 -0.251254D+01  0.488716D+00  0.569211D+01
      2  -0.619913D+00  0.378932D+01 -0.714592D+00  0.922717D+01  0.882262D+01
      3   0.772938D+01 -0.262055D+01  0.322713D+01 -0.971588D+01 -0.145147D+02
      4  -0.383956D+01  0.599361D+01  0.127308D+01  0.151558D+01  0.201127D+01
      5   0.126301D+01 -0.214270D+01  0.154150D+01 -0.167317D+01 -0.656636D+01
      6  -0.606864D-01  0.134407D-01  0.430666D+01 -0.192117D+01  0.837477D+00
                56            57            58            59            60 
      1  -0.737485D+01 -0.650637D+00 -0.685619D+01 -0.511906D+01  0.691236D+01
      2  -0.903462D+01 -0.252540D-01 -0.842296D+01 -0.156430D+01  0.508015D+01
      3   0.164095D+02  0.675891D+00  0.152792D+02  0.668336D+01 -0.119925D+02
      4  -0.175557D+01 -0.235477D+01 -0.113501D+01  0.164166D+01  0.354899D+01
      5   0.146229D+01 -0.149766D+02  0.304425D+01  0.729074D+01  0.106382D+02
      6   0.457022D+01  0.163829D+02  0.774226D+01  0.946422D+00  0.180842D+01
                61            62            63            64            65 
      1  -0.290656D+01  0.134372D+01 -0.237630D+01  0.107840D+02 -0.472173D+01
      2  -0.147415D+01  0.801003D+01 -0.124623D+01 -0.565721D+01  0.766142D+00
      3   0.438072D+01 -0.935375D+01  0.362253D+01 -0.512679D+01  0.395559D+01
      4  -0.649260D+01 -0.166875D+00  0.430142D+01 -0.152308D+02  0.119347D+02
      5  -0.963353D+01  0.811738D+01  0.143732D+01 -0.126293D+02  0.678850D+01
      6   0.116552D+02 -0.125772D+01 -0.653918D+01  0.789307D+01 -0.642747D+01
                66            67            68            69            70 
      1  -0.422205D+01 -0.248399D+01 -0.365714D+01 -0.194778D+01 -0.589933D+01
      2   0.298666D+01 -0.136038D+01  0.830154D+01  0.301608D+01  0.500720D+01
      3   0.123539D+01  0.384438D+01 -0.464441D+01 -0.106831D+01  0.892125D+00
      4   0.882730D+01  0.138247D+02 -0.137755D+02 -0.111999D+02  0.139487D+02
      5   0.131942D+02  0.672703D+01 -0.932907D+01 -0.815722D+01  0.184502D+02
      6  -0.728595D+01 -0.753181D+01  0.110970D+02  0.108401D+02 -0.123547D+02
                71            72            73            74            75 
      1  -0.193705D+01  0.886041D-01 -0.217252D+02  0.193215D+02  0.207596D+02
      2   0.239608D+01 -0.637579D+01  0.231798D+02 -0.611216D+01 -0.128290D+02
      3  -0.459027D+00  0.628718D+01 -0.145458D+01 -0.132094D+02 -0.793053D+01
      4  -0.154158D+02 -0.162136D+02  0.240035D+02  0.157759D+02 -0.904225D-01
      5  -0.119012D+02 -0.209778D+02  0.240227D+02 -0.518698D+01 -0.168926D+02
      6   0.138940D+02  0.182498D+02  0.450727D+01 -0.632111D+00 -0.444383D+01
                76            77            78            79            80 
      1   0.331051D+02  0.226807D+02 -0.100895D+02  0.243381D+02 -0.650437D+01
      2  -0.191752D+02 -0.318360D+02  0.119194D+02 -0.120813D+02  0.110836D+02
      3  -0.139299D+02  0.915537D+01 -0.182989D+01 -0.122568D+02 -0.457923D+01
      4   0.105308D+02 -0.274808D+02  0.978643D+01  0.329569D+01  0.109766D+02
      5  -0.661209D+01  0.113224D+02  0.402011D+01 -0.235732D+02 -0.101240D+00
      6   0.402604D+00  0.132807D+02 -0.955600D+00 -0.704268D+01 -0.208525D+01
                81            82            83            84            85 
      1  -0.177605D+02 -0.847385D+00  0.227549D+01 -0.233047D+01  0.214330D+01
      2   0.125460D+02 -0.302943D+01 -0.555521D+00  0.430143D+00 -0.663632D+00
      3   0.521443D+01  0.387682D+01 -0.171997D+01  0.190033D+01 -0.147967D+01
      4  -0.377337D+01  0.189793D+01  0.302436D+01 -0.855233D+00  0.415887D+01
      5  -0.275833D+02 -0.138871D+00 -0.625406D+00  0.576852D+01 -0.720599D+00
      6  -0.138887D+02 -0.135439D+01  0.557775D+00 -0.555689D+00  0.507553D+00
                86            87            88            89            90 
      1  -0.371778D+01  0.325524D+01 -0.468156D+01  0.324148D+01 -0.211440D+02
      2   0.919422D+00 -0.664195D+00  0.828509D+00  0.157416D+01 -0.137333D+02
      3   0.279836D+01 -0.259104D+01  0.385305D+01 -0.481564D+01  0.348774D+02
      4   0.598714D+00 -0.251360D+01 -0.262639D+01 -0.388740D+01  0.211393D+01
      5  -0.218511D+01  0.263224D+01  0.395927D+01  0.350672D+01 -0.179793D+02
      6  -0.357552D+01  0.811760D+01  0.724356D-01  0.630556D+01 -0.124737D+02
                91            92            93            94            95 
      1   0.153938D+02  0.397782D+01 -0.243459D+01  0.748037D+00 -0.389617D+01
      2  -0.800002D+01  0.461329D+00  0.280499D+01  0.263853D+01  0.973700D+01
      3  -0.739376D+01 -0.443915D+01 -0.370394D+00 -0.338657D+01 -0.584083D+01
      4   0.237842D+02  0.188106D+02 -0.119456D+02  0.159312D+02  0.167435D+02
      5  -0.202061D+02 -0.121387D+02  0.158387D+02 -0.907303D+01 -0.981959D+01
      6  -0.128750D+02 -0.112535D+02  0.101998D+02 -0.986938D+01 -0.136463D+02
                96            97            98            99           100 
      1   0.189402D+01 -0.882603D+00  0.171186D+01 -0.246025D+01 -0.313018D+01
      2  -0.165202D+01  0.237986D+01 -0.277063D-01 -0.522518D+01  0.493567D+01
      3  -0.241998D+00 -0.149726D+01 -0.168415D+01  0.768543D+01 -0.180549D+01
      4  -0.904350D+01 -0.975464D+01 -0.836807D+01  0.967479D+01 -0.199072D+02
      5   0.697139D+01  0.139261D+02  0.885685D+01 -0.120472D+02 -0.161493D+02
      6   0.103919D+02  0.979303D+01  0.103783D+02 -0.116968D+02 -0.175644D+02
               101           102           103           104           105 
      1  -0.204859D+02 -0.140551D+02 -0.236609D+02  0.281541D+01 -0.846328D+01
      2   0.460798D+01  0.304939D+01  0.555762D+01  0.891696D+01 -0.702809D+01
      3   0.158779D+02  0.110057D+02  0.181033D+02 -0.117324D+02  0.154914D+02
      4  -0.907845D+01 -0.203380D+01 -0.117599D+02  0.258475D+01 -0.147094D+02
      5  -0.121508D+02 -0.831986D+01 -0.122272D+02 -0.162863D+02  0.106250D+02
      6  -0.688151D+01  0.315931D+01 -0.994421D+01  0.711134D+01 -0.204419D+02
               106           107           108           109           110 
      1  -0.113607D+02 -0.390985D+01 -0.242764D+01 -0.237394D+02 -0.307224D+02
      2   0.271327D+01 -0.698612D+01 -0.546786D+01  0.173113D+02  0.186229D+02
      3   0.864739D+01  0.108960D+02  0.789550D+01  0.642811D+01  0.120994D+02
      4   0.225011D+01 -0.994564D+01  0.108507D+02 -0.286962D+02 -0.263473D+01
      5  -0.740127D+01  0.114900D+02  0.697838D+01 -0.107784D+02  0.766340D+01
      6   0.713523D+01 -0.142848D+02  0.139395D+02  0.618403D+01 -0.291548D+01
               111           112           113           114           115 
      1  -0.103369D+02 -0.401531D+02 -0.374394D+01  0.235676D+01 -0.119156D+02
      2   0.216706D+01  0.258382D+02 -0.745244D+01  0.691250D+01  0.134165D+01
      3   0.816979D+01  0.143150D+02  0.111964D+02 -0.926926D+01  0.105739D+02
      4   0.829396D+01 -0.108174D+02  0.173378D+02 -0.155930D+02  0.103251D+02
      5   0.120650D+01  0.935719D+01 -0.142419D+02  0.155639D+02 -0.264317D+01
      6   0.410038D+00 -0.449754D+01  0.912541D+01 -0.881878D+01  0.369815D+01
               116           117           118           119           120 
      1   0.203247D+01  0.711562D+01 -0.198071D+00  0.173049D+01 -0.347770D+00
      2   0.874807D+01 -0.658198D+01  0.439479D+01 -0.250548D+01 -0.511484D+00
      3  -0.107805D+02 -0.533645D+00 -0.419672D+01  0.774992D+00  0.859254D+00
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               246           247           248           249           250 
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      6   0.104709D+02 -0.459146D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 22:36:09 2021, MaxMem= 17179869184 cpu:           37970.4 elap:            3171.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.43558 -10.42994 -10.42880 -10.42719 -10.42439
 Alpha  occ. eigenvalues --  -10.42384 -10.42113 -10.41869 -10.41800 -10.41685
 Alpha  occ. eigenvalues --   -1.02249  -0.92425  -0.88694  -0.86887  -0.81481
 Alpha  occ. eigenvalues --   -0.79539  -0.74676  -0.71402  -0.68961  -0.61294
 Alpha  occ. eigenvalues --   -0.60557  -0.59075  -0.56417  -0.54069  -0.53315
 Alpha  occ. eigenvalues --   -0.51952  -0.50677  -0.49391  -0.48762  -0.47361
 Alpha  occ. eigenvalues --   -0.47199  -0.45475  -0.45071  -0.43719  -0.42873
 Alpha  occ. eigenvalues --   -0.40254  -0.38126  -0.37686  -0.36225
 Alpha virt. eigenvalues --   -0.01114  -0.00326  -0.00281  -0.00227   0.01319
 Alpha virt. eigenvalues --    0.01465   0.01514   0.01638   0.01722   0.03652
 Alpha virt. eigenvalues --    0.03802   0.03940   0.04113   0.04230   0.04781
 Alpha virt. eigenvalues --    0.05239   0.06773   0.07167   0.08957   0.09509
 Alpha virt. eigenvalues --    0.09892   0.10091   0.10162   0.10774   0.11001
 Alpha virt. eigenvalues --    0.11255   0.11381   0.11916   0.12243   0.12666
 Alpha virt. eigenvalues --    0.12951   0.13429   0.13779   0.14067   0.14447
 Alpha virt. eigenvalues --    0.14949   0.15388   0.15735   0.16014   0.16258
 Alpha virt. eigenvalues --    0.16604   0.17103   0.17468   0.17757   0.18208
 Alpha virt. eigenvalues --    0.18441   0.19003   0.19410   0.20021   0.21211
 Alpha virt. eigenvalues --    0.22357   0.22760   0.23071   0.23591   0.24576
 Alpha virt. eigenvalues --    0.24902   0.25476   0.26020   0.26716   0.27140
 Alpha virt. eigenvalues --    0.27777   0.28414   0.28963   0.29251   0.29574
 Alpha virt. eigenvalues --    0.30159   0.30586   0.31120   0.33047   0.33210
 Alpha virt. eigenvalues --    0.33675   0.34069   0.34468   0.35448   0.35872
 Alpha virt. eigenvalues --    0.36266   0.37113   0.37806   0.38020   0.38204
 Alpha virt. eigenvalues --    0.38329   0.39272   0.39793   0.40712   0.40974
 Alpha virt. eigenvalues --    0.41091   0.42207   0.42446   0.42739   0.43021
 Alpha virt. eigenvalues --    0.43536   0.44195   0.44615   0.44853   0.44960
 Alpha virt. eigenvalues --    0.45914   0.45995   0.46268   0.46595   0.47343
 Alpha virt. eigenvalues --    0.47979   0.48847   0.49335   0.50865   0.51427
 Alpha virt. eigenvalues --    0.51796   0.52526   0.52894   0.53333   0.54266
 Alpha virt. eigenvalues --    0.54612   0.54863   0.55489   0.55959   0.57033
 Alpha virt. eigenvalues --    0.57682   0.57961   0.58246   0.58821   0.59857
 Alpha virt. eigenvalues --    0.60228   0.60473   0.60959   0.61346   0.61682
 Alpha virt. eigenvalues --    0.61943   0.61991   0.62716   0.63172   0.64533
 Alpha virt. eigenvalues --    0.65265   0.65556   0.66286   0.66522   0.67223
 Alpha virt. eigenvalues --    0.67931   0.68568   0.69211   0.69881   0.70026
 Alpha virt. eigenvalues --    0.70814   0.70901   0.71497   0.71928   0.72785
 Alpha virt. eigenvalues --    0.73225   0.73393   0.73958   0.74327   0.75515
 Alpha virt. eigenvalues --    0.75768   0.76029   0.76548   0.77236   0.77805
 Alpha virt. eigenvalues --    0.78114   0.78389   0.79053   0.80179   0.80324
 Alpha virt. eigenvalues --    0.81076   0.81679   0.82637   0.82860   0.83646
 Alpha virt. eigenvalues --    0.83995   0.84069   0.85320   0.86232   0.86670
 Alpha virt. eigenvalues --    0.86764   0.87411   0.88492   0.88926   0.89692
 Alpha virt. eigenvalues --    0.90530   0.91319   0.91708   0.93300   0.94288
 Alpha virt. eigenvalues --    0.94959   0.95915   0.96705   0.97533   0.98784
 Alpha virt. eigenvalues --    1.00739   1.02649   1.04119   1.04731   1.05278
 Alpha virt. eigenvalues --    1.06736   1.06991   1.08108   1.10040   1.10983
 Alpha virt. eigenvalues --    1.12442   1.13769   1.14620   1.15735   1.17047
 Alpha virt. eigenvalues --    1.17827   1.19178   1.19688   1.20969   1.23806
 Alpha virt. eigenvalues --    1.24886   1.26408   1.27557   1.28826   1.29600
 Alpha virt. eigenvalues --    1.31123   1.32388   1.34342   1.37677   1.38023
 Alpha virt. eigenvalues --    1.39789   1.40083   1.41658   1.44196   1.46317
 Alpha virt. eigenvalues --    1.48316   1.48772   1.49905   1.50249   1.52192
 Alpha virt. eigenvalues --    1.52793   1.53667   1.56151   1.56532   1.58251
 Alpha virt. eigenvalues --    1.59234   1.60884   1.62359   1.65004   1.65824
 Alpha virt. eigenvalues --    1.67754   1.67934   1.69196   1.69961   1.71153
 Alpha virt. eigenvalues --    1.72316   1.73367   1.74649   1.75143   1.77187
 Alpha virt. eigenvalues --    1.78604   1.79375   1.80905   1.81473   1.81911
 Alpha virt. eigenvalues --    1.83770   1.86024   1.88173   1.89356   1.89536
 Alpha virt. eigenvalues --    1.90267   1.91497   1.92494   1.92779   1.93740
 Alpha virt. eigenvalues --    1.95444   1.96534   1.96947   1.97979   1.99519
 Alpha virt. eigenvalues --    2.00123   2.00942   2.01935   2.03722   2.03775
 Alpha virt. eigenvalues --    2.05344   2.08012   2.08137   2.09128   2.10174
 Alpha virt. eigenvalues --    2.10654   2.11885   2.13255   2.14051   2.15472
 Alpha virt. eigenvalues --    2.16724   2.17848   2.19130   2.20115   2.22201
 Alpha virt. eigenvalues --    2.22829   2.24176   2.24675   2.25898   2.27261
 Alpha virt. eigenvalues --    2.28186   2.28964   2.30049   2.31020   2.31628
 Alpha virt. eigenvalues --    2.33781   2.33846   2.35690   2.35963   2.37038
 Alpha virt. eigenvalues --    2.37880   2.39090   2.40011   2.40911   2.42637
 Alpha virt. eigenvalues --    2.44796   2.46080   2.46379   2.48295   2.49117
 Alpha virt. eigenvalues --    2.51431   2.53105   2.53937   2.56352   2.56388
 Alpha virt. eigenvalues --    2.57757   2.58796   2.61026   2.62367   2.64111
 Alpha virt. eigenvalues --    2.64190   2.66404   2.66646   2.68275   2.68740
 Alpha virt. eigenvalues --    2.70851   2.72628   2.74598   2.75658   2.78026
 Alpha virt. eigenvalues --    2.80277   2.81872   2.84457   2.85713   2.88600
 Alpha virt. eigenvalues --    2.90475   2.91983   2.93656   2.95883   2.98444
 Alpha virt. eigenvalues --    3.00421   3.05471   3.06725   3.17680   3.21624
 Alpha virt. eigenvalues --    3.22304   3.32074   3.43850   3.47339   4.26431
 Alpha virt. eigenvalues --    4.40545   4.45471   4.77364
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   10.653149  -4.043768  -2.234139   2.108166  -0.999833   2.021580
     2  C   -4.043768  18.397500   1.466283  -2.642080   3.224452  -7.462344
     3  C   -2.234139   1.466283   9.235044  -3.106644   0.738959  -1.443880
     4  C    2.108166  -2.642080  -3.106644  18.422591  -6.473198   6.084085
     5  C   -0.999833   3.224452   0.738959  -6.473198  20.823179  -9.061145
     6  C    2.021580  -7.462344  -1.443880   6.084085  -9.061145  28.907441
     7  C   -1.656886  -0.314704   0.721846  -5.755855   3.130736  -8.273671
     8  H   -1.526863   0.678150   0.506681  -0.280183   0.115377  -0.215517
     9  C   -0.254825  -0.976408   0.182930  -0.438705  -0.070184  -0.280331
    10  H    0.885382  -2.985543   0.047516  -0.088293  -0.130187   0.352042
    11  H   -0.110302   0.327525   0.621004  -3.276948   0.604965  -0.603533
    12  C   -0.534880  -0.368817  -0.128249   1.770835  -3.751148   2.238759
    13  C    0.463093  -0.337402  -0.562377  -0.348806  -2.282725  -0.877305
    14  H    0.100357   0.673771   0.069680  -0.445970   0.544848  -5.032074
    15  H   -0.187097   0.076507   0.089410   0.304741   0.291260  -0.056860
    16  H    0.242584   0.565024   0.011159  -1.203619   0.476266  -1.611694
    17  H   -0.124357  -0.075923  -0.201254  -0.435616   1.141116  -0.595398
    18  H    0.020484  -0.028317   0.124938  -0.064778  -0.225478   0.251263
    19  H    0.001787   0.256274   0.005484   0.049733   0.281464  -0.307940
    20  H    0.013334   0.146199   0.018574   0.101331   1.090873   0.028533
    21  H   -0.004037  -0.026977  -0.044221  -0.017291  -0.271456  -0.162032
    22  H    0.010979  -0.073813   0.026920  -0.108212  -0.086903   0.102994
    23  H   -0.389005   0.143315   0.051411   0.058322  -0.145599  -0.164568
    24  H    0.042023   0.056304  -0.346763   0.036175   0.426414  -0.192705
    25  H    0.606072  -0.131176  -0.617890   0.175579  -0.228044  -0.086012
    26  H   -0.215771  -0.102909   0.133738  -0.136562   0.154759  -0.465049
    27  H    0.144721  -0.127009  -0.017790   0.061601  -0.154579   0.299362
    28  H   -0.069353   0.375400  -0.038438  -0.019580   0.075865  -0.035621
               7          8          9         10         11         12
     1  C   -1.656886  -1.526863  -0.254825   0.885382  -0.110302  -0.534880
     2  C   -0.314704   0.678150  -0.976408  -2.985543   0.327525  -0.368817
     3  C    0.721846   0.506681   0.182930   0.047516   0.621004  -0.128249
     4  C   -5.755855  -0.280183  -0.438705  -0.088293  -3.276948   1.770835
     5  C    3.130736   0.115377  -0.070184  -0.130187   0.604965  -3.751148
     6  C   -8.273671  -0.215517  -0.280331   0.352042  -0.603533   2.238759
     7  C   14.116878   0.269201   0.500801   0.340226   1.077703  -1.344702
     8  H    0.269201   3.058020   0.288995  -0.316892  -0.005822   0.015049
     9  C    0.500801   0.288995   6.502628  -0.422819   0.007504  -0.157181
    10  H    0.340226  -0.316892  -0.422819   4.016119   0.006395  -0.111409
    11  H    1.077703  -0.005822   0.007504   0.006395   3.456085  -0.333698
    12  C   -1.344702   0.015049  -0.157181  -0.111409  -0.333698   8.654192
    13  C    0.594414  -0.032446  -0.031690   0.009624   0.057820  -0.873234
    14  H    1.600023  -0.004518  -0.051052   0.096878  -0.007314  -0.381696
    15  H   -0.816658   0.000701   0.007854   0.051559  -0.125006   0.167910
    16  H    0.550416   0.037365  -0.068995  -0.024920   0.218391  -0.250684
    17  H    0.299498  -0.000124  -0.023028  -0.146732  -0.029099  -0.261027
    18  H   -0.016773   0.009573   0.013237   0.021888   0.031599  -0.123220
    19  H    0.019719   0.010374   0.034107   0.009174   0.003498  -0.114835
    20  H   -0.358343  -0.002562  -0.031459   0.014480  -0.051006  -0.174301
    21  H    0.136650   0.000511   0.014863   0.013026   0.024441   0.120893
    22  H    0.042888   0.000860   0.010286  -0.018579  -0.023375   0.139599
    23  H    0.126929  -1.072042  -0.475193   0.235301  -0.005344   0.045217
    24  H    0.044024   0.225068   0.004596  -0.002345  -0.103246   0.003049
    25  H    0.055381  -0.398734   0.023368   0.026781   0.027059  -0.174038
    26  H    0.144681   0.018885   0.536290   0.110510   0.000260   0.005200
    27  H   -0.083605   0.013430   0.163949  -0.078254   0.001797   0.019808
    28  H    0.103902   0.019403  -0.065127  -0.118251   0.000494  -0.030218
              13         14         15         16         17         18
     1  C    0.463093   0.100357  -0.187097   0.242584  -0.124357   0.020484
     2  C   -0.337402   0.673771   0.076507   0.565024  -0.075923  -0.028317
     3  C   -0.562377   0.069680   0.089410   0.011159  -0.201254   0.124938
     4  C   -0.348806  -0.445970   0.304741  -1.203619  -0.435616  -0.064778
     5  C   -2.282725   0.544848   0.291260   0.476266   1.141116  -0.225478
     6  C   -0.877305  -5.032074  -0.056860  -1.611694  -0.595398   0.251263
     7  C    0.594414   1.600023  -0.816658   0.550416   0.299498  -0.016773
     8  H   -0.032446  -0.004518   0.000701   0.037365  -0.000124   0.009573
     9  C   -0.031690  -0.051052   0.007854  -0.068995  -0.023028   0.013237
    10  H    0.009624   0.096878   0.051559  -0.024920  -0.146732   0.021888
    11  H    0.057820  -0.007314  -0.125006   0.218391  -0.029099   0.031599
    12  C   -0.873234  -0.381696   0.167910  -0.250684  -0.261027  -0.123220
    13  C    8.625834   0.211321  -0.070342   0.137837   0.343802  -0.101595
    14  H    0.211321   4.585185  -0.125150   0.254578  -0.021089   0.002914
    15  H   -0.070342  -0.125150   3.269503  -1.361521   0.030139  -0.002756
    16  H    0.137837   0.254578  -1.361521   3.917921  -0.008933  -0.003689
    17  H    0.343802  -0.021089   0.030139  -0.008933   3.236579  -0.874664
    18  H   -0.101595   0.002914  -0.002756  -0.003689  -0.874664   2.463162
    19  H   -0.288122   0.032965  -0.007210   0.002586  -0.840073  -0.283366
    20  H   -0.522773  -0.051926  -0.105071  -0.006349  -0.082492   0.037490
    21  H    0.284604  -0.022343   0.018536   0.013581   0.058277   0.041883
    22  H    0.040495   0.032289   0.010925   0.005658   0.058700  -0.111962
    23  H    0.025187  -0.009875   0.044637  -0.132112   0.010576  -0.003378
    24  H    0.031101  -0.008353   0.031346  -0.066482  -0.002499   0.018884
    25  H    0.012809   0.002312   0.002889   0.019239  -0.021333  -0.018867
    26  H   -0.008983  -0.029511   0.046641  -0.093218  -0.000656   0.002275
    27  H   -0.001222   0.039073  -0.010587  -0.000619   0.008352   0.000557
    28  H    0.011092  -0.027412   0.004186   0.014336  -0.008531   0.000136
              19         20         21         22         23         24
     1  C    0.001787   0.013334  -0.004037   0.010979  -0.389005   0.042023
     2  C    0.256274   0.146199  -0.026977  -0.073813   0.143315   0.056304
     3  C    0.005484   0.018574  -0.044221   0.026920   0.051411  -0.346763
     4  C    0.049733   0.101331  -0.017291  -0.108212   0.058322   0.036175
     5  C    0.281464   1.090873  -0.271456  -0.086903  -0.145599   0.426414
     6  C   -0.307940   0.028533  -0.162032   0.102994  -0.164568  -0.192705
     7  C    0.019719  -0.358343   0.136650   0.042888   0.126929   0.044024
     8  H    0.010374  -0.002562   0.000511   0.000860  -1.072042   0.225068
     9  C    0.034107  -0.031459   0.014863   0.010286  -0.475193   0.004596
    10  H    0.009174   0.014480   0.013026  -0.018579   0.235301  -0.002345
    11  H    0.003498  -0.051006   0.024441  -0.023375  -0.005344  -0.103246
    12  C   -0.114835  -0.174301   0.120893   0.139599   0.045217   0.003049
    13  C   -0.288122  -0.522773   0.284604   0.040495   0.025187   0.031101
    14  H    0.032965  -0.051926  -0.022343   0.032289  -0.009875  -0.008353
    15  H   -0.007210  -0.105071   0.018536   0.010925   0.044637   0.031346
    16  H    0.002586  -0.006349   0.013581   0.005658  -0.132112  -0.066482
    17  H   -0.840073  -0.082492   0.058277   0.058700   0.010576  -0.002499
    18  H   -0.283366   0.037490   0.041883  -0.111962  -0.003378   0.018884
    19  H    2.351310   0.026798  -0.118800   0.035586  -0.005718  -0.003665
    20  H    0.026798   2.134698  -0.458632  -0.476686   0.002130  -0.000112
    21  H   -0.118800  -0.458632   2.134440  -0.545086  -0.000692   0.004921
    22  H    0.035586  -0.476686  -0.545086   2.096539  -0.001146   0.000530
    23  H   -0.005718   0.002130  -0.000692  -0.001146   3.527409  -0.447609
    24  H   -0.003665  -0.000112   0.004921   0.000530  -0.447609   2.395473
    25  H    0.021454   0.005757  -0.012313   0.015442   0.292327  -0.878057
    26  H    0.001996   0.001374   0.000399  -0.000511  -0.061627   0.016373
    27  H   -0.000478  -0.000882  -0.000172   0.000371  -0.090197   0.001690
    28  H    0.002445  -0.006218   0.001077   0.002666   0.009522  -0.003904
              25         26         27         28
     1  C    0.606072  -0.215771   0.144721  -0.069353
     2  C   -0.131176  -0.102909  -0.127009   0.375400
     3  C   -0.617890   0.133738  -0.017790  -0.038438
     4  C    0.175579  -0.136562   0.061601  -0.019580
     5  C   -0.228044   0.154759  -0.154579   0.075865
     6  C   -0.086012  -0.465049   0.299362  -0.035621
     7  C    0.055381   0.144681  -0.083605   0.103902
     8  H   -0.398734   0.018885   0.013430   0.019403
     9  C    0.023368   0.536290   0.163949  -0.065127
    10  H    0.026781   0.110510  -0.078254  -0.118251
    11  H    0.027059   0.000260   0.001797   0.000494
    12  C   -0.174038   0.005200   0.019808  -0.030218
    13  C    0.012809  -0.008983  -0.001222   0.011092
    14  H    0.002312  -0.029511   0.039073  -0.027412
    15  H    0.002889   0.046641  -0.010587   0.004186
    16  H    0.019239  -0.093218  -0.000619   0.014336
    17  H   -0.021333  -0.000656   0.008352  -0.008531
    18  H   -0.018867   0.002275   0.000557   0.000136
    19  H    0.021454   0.001996  -0.000478   0.002445
    20  H    0.005757   0.001374  -0.000882  -0.006218
    21  H   -0.012313   0.000399  -0.000172   0.001077
    22  H    0.015442  -0.000511   0.000371   0.002666
    23  H    0.292327  -0.061627  -0.090197   0.009522
    24  H   -0.878057   0.016373   0.001690  -0.003904
    25  H    2.628453  -0.006117  -0.003653   0.005059
    26  H   -0.006117   1.964577  -0.397231  -0.460110
    27  H   -0.003653  -0.397231   1.758850  -0.460499
    28  H    0.005059  -0.460110  -0.460499   1.914001
 Mulliken charges:
               1
     1  C    1.037406
     2  C   -0.689514
     3  C    0.690068
     4  C    1.669181
     5  C   -3.240056
     6  C    2.641622
     7  C    0.745282
     8  H   -0.411941
     9  C    1.055589
    10  H   -0.792677
    11  H   -0.791847
    12  C    1.932826
    13  C    1.489988
    14  H   -1.027911
    15  H   -0.580486
    16  H   -0.634105
    17  H   -0.434209
    18  H   -0.181440
    19  H   -0.176549
    20  H   -0.292759
    21  H   -0.184051
    22  H   -0.187452
    23  H   -0.568178
    24  H   -0.282233
    25  H   -0.343747
    26  H   -0.159701
    27  H   -0.086783
    28  H   -0.196322
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.057287
     2  C   -1.482191
     3  C    0.064088
     4  C    0.877333
     5  C   -3.240056
     6  C    1.613712
     7  C   -0.469309
     9  C    0.612782
    12  C    1.140627
    13  C    0.825726
 Electronic spatial extent (au):  <R**2>=           1433.5781
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0020    Y=              0.0795    Z=              0.1096  Tot=              0.1354
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -65.9687   YY=            -65.6006   ZZ=            -65.4217
   XY=             -0.2851   XZ=             -0.2481   YZ=             -0.1619
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.3051   YY=              0.0631   ZZ=              0.2420
   XY=             -0.2851   XZ=             -0.2481   YZ=             -0.1619
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.9382  YYY=             -1.0914  ZZZ=             -0.7061  XYY=              0.9357
  XXY=              2.9878  XXZ=              0.1367  XZZ=             -1.1997  YZZ=              0.0451
  YYZ=              1.0648  XYZ=              0.3625
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1082.3754 YYYY=           -529.7575 ZZZZ=           -440.8430 XXXY=              3.2870
 XXXZ=             -1.5177 YYYX=             -0.3494 YYYZ=             -5.1414 ZZZX=             -4.6498
 ZZZY=              1.1755 XXYY=           -269.9260 XXZZ=           -247.8005 YYZZ=           -157.4599
 XXYZ=             -0.3629 YYXZ=              0.2870 ZZXY=             -4.5844
 N-N= 5.951708560182D+02 E-N=-2.096510705854D+03  KE= 3.890149728292D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 22:36:09 2021, MaxMem= 17179869184 cpu:               2.9 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.35382624D-04 3.45650446D-02 3.94025167D-02
 Polarizability= 1.22105360D+02-1.24919004D-01 1.09054775D+02
                 6.28409595D-01-1.15229645D-01 1.05096169D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.3593   -0.3617       -0.0392   -0.0388
 2      0.3593    0.3617        0.0985    0.0937       -6.8097   -6.8210
 3      0.0392    0.0388        8.9416    8.9476       -0.0974   -0.0937
 4     -0.0985   -0.0937        0.0000    0.0000        0.0432    0.0388
 5     -2.1320   -2.1266       -0.0432   -0.0388       -0.3674   -0.3617
 6      0.0974    0.0937        0.3674    0.3617       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.0851    1.0851       -0.1163   -0.1163
 2     -0.2810   -0.2810       -0.0000    0.0000       -0.1163   -0.1163
 3     -0.2810   -0.2810        1.0851    1.0851        0.0000    0.0000
 4      1.0851    1.0851        0.2810    0.2810      -20.4631  -20.4631
 5      0.1163    0.1163       26.8428   26.8428       -0.2810   -0.2810
 6     -6.3797   -6.3797       -0.1163   -0.1163       -1.0851   -1.0851
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0087    0.0000        1.2556    1.4468       -0.2305    0.1551
 2     -1.7168   -1.4468       -0.3065   -0.3747       27.2210   27.2842
 3      0.2711   -0.1551      -35.5862  -35.7904        0.3885    0.3747
 4      0.1998    0.3747        0.1132    0.0000       -0.0788   -0.1551
 5      8.4224    8.5063       -0.0431    0.1551        1.4927    1.4468
 6     -0.4114   -0.3747       -1.5660   -1.4468       -0.1414    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3250    0.0000        6.1654    6.5822       -3.9212   -4.3781
 2     -7.0758   -6.5822        8.8356    8.6883        6.1348    6.4733
 3      4.5536    4.3781       -7.1671   -7.3221       -8.6770   -8.6883
 4     -8.9144   -8.6883        0.4960    0.0000        3.9604    4.3781
 5      0.4887    0.8488       -4.4048   -4.3781        6.4829    6.5822
 6      9.1659    8.6883       -6.6589   -6.5822       -0.1351    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -17.4221  -17.3812       23.2458   23.3424       14.2904   14.1300
 2    -26.2294  -25.7531       29.7713   30.0653       14.2354   14.1300
 3    -26.0138  -25.7531       23.2101   23.3424       15.3091   15.5780
 4     -7.4474   -6.7229        8.3536    8.3718       -6.0473   -5.7110
 5      1.9762    1.4481        0.4968    1.0994       -8.2624   -8.3718
 6      3.8383    4.6116       -2.0985   -1.4481        6.4047    6.7229
 Full mass-weighted force constant matrix:
 Low frequencies ---  -13.2126  -11.2057   -0.0006   -0.0002    0.0001    3.8994
 Low frequencies ---  126.9817  176.3350  201.2294
 Diagonal vibrational polarizability:
        1.2012686       1.1302383       1.1523327
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    126.9788               176.3320               201.2291
 Red. masses --      2.1940                 1.7878                 1.3296
 Frc consts  --      0.0208                 0.0328                 0.0317
 IR Inten    --      0.0066                 0.0218                 0.0116
 RamAct Fr= 1--      0.3267                 0.5593                 0.1169
  Dep-P Fr= 1--      0.6155                 0.7453                 0.7371
  Dep-U Fr= 1--      0.7620                 0.8541                 0.8486
 Alpha2 Fr= 1--      0.0008                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0415                 0.0796                 0.0165
 AlphaG Fr= 1--     -0.0016                 0.0006                 0.0002
 Gamma2 Fr= 1--     -0.1389                 0.0275                -0.0294
 Delta2 Fr= 1--      0.0562                -0.0669                -0.0103
 Raman1 Fr= 1--       1.307                  2.237                  0.468
 ROA1   Fr= 1--     -11.533                  0.501                 -3.156
 CID1   Fr= 1--      -8.824                  0.224                 -6.746
 Raman2 Fr= 1--       0.498                  0.955                  0.198
 ROA2   Fr= 1--      -3.783                  1.196                 -0.624
 CID2   Fr= 1--      -7.597                  1.252                 -3.144
 Raman3 Fr= 1--       0.996                  1.911                  0.397
 ROA3   Fr= 1--     -11.533                  0.501                 -3.156
 CID3   Fr= 1--     -11.580                  0.262                 -7.950
 RC180  Fr= 1--       0.524                  0.708                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.00   0.20    -0.05   0.00  -0.07     0.02  -0.02   0.02
     2   6     0.00  -0.05   0.02    -0.05   0.02   0.00     0.02  -0.02  -0.01
     3   6     0.01  -0.02  -0.03    -0.00  -0.01   0.07     0.01  -0.00   0.00
     4   6    -0.02  -0.04  -0.04    -0.01  -0.01   0.04     0.02   0.01  -0.01
     5   6    -0.00   0.01  -0.00     0.02   0.00   0.02    -0.01   0.00  -0.02
     6   6     0.01  -0.03   0.04    -0.01   0.01   0.08    -0.00   0.01  -0.06
     7   6    -0.05  -0.06   0.02    -0.02  -0.02   0.06     0.02   0.04  -0.04
     8   1     0.31  -0.04   0.35    -0.18   0.03  -0.15     0.05  -0.03   0.05
     9   6    -0.01   0.05  -0.18    -0.01  -0.01  -0.10    -0.00  -0.02   0.06
    10   1    -0.07  -0.20   0.02    -0.13   0.06   0.02     0.07  -0.04  -0.03
    11   1    -0.04  -0.06  -0.08    -0.03  -0.00   0.02     0.03   0.03   0.01
    12   6    -0.01   0.10  -0.03     0.15   0.06  -0.01    -0.04   0.06  -0.03
    13   6     0.01   0.01   0.02    -0.03  -0.04  -0.05    -0.03  -0.06   0.06
    14   1     0.03  -0.03   0.06    -0.02   0.01   0.10     0.01   0.01  -0.09
    15   1    -0.08  -0.07  -0.00    -0.02  -0.03   0.06     0.02   0.04  -0.04
    16   1    -0.08  -0.07   0.06    -0.02  -0.04   0.06     0.03   0.07  -0.05
    17   1    -0.06   0.03  -0.04     0.05  -0.21   0.13    -0.15  -0.14   0.01
    18   1    -0.07   0.20  -0.08    -0.03   0.35  -0.19    -0.19   0.29  -0.09
    19   1     0.10   0.15   0.02     0.56   0.12  -0.03     0.22   0.12  -0.01
    20   1     0.00  -0.03   0.03    -0.05   0.04  -0.07     0.17   0.27  -0.05
    21   1     0.03   0.04   0.06    -0.08  -0.10  -0.12    -0.34  -0.28  -0.18
    22   1    -0.00   0.03  -0.01     0.01  -0.11  -0.00     0.06  -0.26   0.47
    23   1    -0.12   0.13   0.38     0.06  -0.04  -0.18    -0.01   0.01   0.05
    24   1    -0.09  -0.10  -0.09     0.07   0.08   0.14    -0.01  -0.01   0.00
    25   1     0.09   0.09  -0.14    -0.02  -0.12   0.15     0.01   0.01  -0.01
    26   1     0.07   0.23  -0.19     0.15  -0.09  -0.13    -0.13   0.04   0.09
    27   1    -0.03   0.01  -0.18    -0.08   0.03  -0.25     0.05  -0.08   0.19
    28   1    -0.08   0.00  -0.34    -0.04   0.01  -0.00     0.06  -0.04  -0.02
                      4                      5                      6
                      A                      A                      A
 Frequencies --    214.0535               230.2849               260.6062
 Red. masses --      1.9155                 1.3070                 1.1319
 Frc consts  --      0.0517                 0.0408                 0.0453
 IR Inten    --      0.0129                 0.0275                 0.0123
 RamAct Fr= 1--      0.3249                 0.3588                 0.0757
  Dep-P Fr= 1--      0.7338                 0.6043                 0.4720
  Dep-U Fr= 1--      0.8465                 0.7533                 0.6413
 Alpha2 Fr= 1--      0.0001                 0.0010                 0.0004
 Beta2  Fr= 1--      0.0458                 0.0450                 0.0081
 AlphaG Fr= 1--      0.0009                 0.0065                -0.0001
 Gamma2 Fr= 1--     -0.0384                -0.0826                -0.0148
 Delta2 Fr= 1--     -0.0000                -0.1025                 0.0196
 Raman1 Fr= 1--       1.300                  1.435                  0.303
 ROA1   Fr= 1--      -3.687                -11.213                 -0.793
 CID1   Fr= 1--      -2.837                 -7.813                 -2.617
 Raman2 Fr= 1--       0.550                  0.541                  0.097
 ROA2   Fr= 1--      -0.921                 -1.163                 -0.512
 CID2   Fr= 1--      -1.675                 -2.151                 -5.274
 Raman3 Fr= 1--       1.100                  1.081                  0.194
 ROA3   Fr= 1--      -3.687                -11.213                 -0.793
 CID3   Fr= 1--      -3.351                -10.372                 -4.080
 RC180  Fr= 1--       0.693                  0.507                  0.283
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.03    -0.02   0.02   0.01     0.03  -0.01   0.03
     2   6    -0.00   0.01   0.00     0.01   0.03   0.03     0.02  -0.02   0.00
     3   6     0.02  -0.02  -0.01    -0.03   0.02  -0.05     0.02   0.00   0.02
     4   6    -0.02  -0.05  -0.01    -0.01   0.01  -0.01     0.00   0.01  -0.01
     5   6    -0.00  -0.03   0.00     0.01   0.03   0.01    -0.01  -0.01  -0.02
     6   6     0.00  -0.06   0.02     0.01   0.03   0.06    -0.00  -0.00  -0.03
     7   6    -0.01  -0.08   0.01    -0.03  -0.02   0.03    -0.01   0.03  -0.02
     8   1    -0.00   0.02  -0.04     0.03   0.04   0.03     0.05  -0.03   0.06
     9   6    -0.06   0.09   0.02     0.07  -0.03  -0.05     0.01  -0.01   0.02
    10   1    -0.03   0.02   0.01    -0.03   0.04   0.04     0.04  -0.03  -0.01
    11   1    -0.01  -0.08  -0.03    -0.03   0.01  -0.04     0.01   0.00  -0.00
    12   6    -0.04  -0.09   0.03     0.02  -0.04   0.02    -0.05   0.02  -0.02
    13   6     0.10   0.17  -0.04    -0.03  -0.02  -0.03    -0.00  -0.01   0.02
    14   1    -0.02  -0.06   0.05     0.02   0.03   0.09    -0.00  -0.00  -0.07
    15   1    -0.00  -0.09   0.02    -0.05  -0.03   0.03    -0.02   0.04  -0.04
    16   1    -0.02  -0.11   0.01    -0.04  -0.03   0.06    -0.02   0.05  -0.01
    17   1    -0.14  -0.28   0.09     0.14   0.19  -0.03    -0.10  -0.04  -0.03
    18   1    -0.16   0.07   0.06     0.20  -0.30   0.11    -0.10   0.09  -0.02
    19   1     0.14  -0.11  -0.05    -0.29  -0.10   0.01     0.01   0.04  -0.01
    20   1     0.28   0.51  -0.15     0.09   0.32  -0.13    -0.01  -0.08   0.04
    21   1     0.11   0.00  -0.30    -0.27  -0.24  -0.28     0.02   0.03   0.07
    22   1     0.02   0.23   0.27     0.05  -0.20   0.31    -0.01   0.01  -0.03
    23   1     0.04  -0.00  -0.04    -0.05   0.01   0.05     0.01   0.01   0.05
    24   1     0.05   0.01   0.01    -0.05  -0.03  -0.10     0.01   0.01   0.04
    25   1     0.05  -0.06  -0.00    -0.04   0.09  -0.09     0.04  -0.01   0.02
    26   1    -0.04   0.05   0.02     0.23  -0.15  -0.09     0.31  -0.47  -0.06
    27   1    -0.03   0.22  -0.02    -0.02  -0.01  -0.22    -0.08   0.33  -0.40
    28   1    -0.18   0.10   0.09     0.06  -0.00   0.07    -0.20   0.10   0.52
                      7                      8                      9
                      A                      A                      A
 Frequencies --    302.5084               311.9920               384.4003
 Red. masses --      2.0979                 1.7307                 2.4166
 Frc consts  --      0.1131                 0.0993                 0.2104
 IR Inten    --      0.0053                 0.0033                 0.0539
 RamAct Fr= 1--      1.2057                 0.4263                 1.3906
  Dep-P Fr= 1--      0.2883                 0.1617                 0.5222
  Dep-U Fr= 1--      0.4475                 0.2783                 0.6861
 Alpha2 Fr= 1--      0.0128                 0.0064                 0.0062
 Beta2  Fr= 1--      0.0899                 0.0198                 0.1590
 AlphaG Fr= 1--     -0.0176                 0.0164                 0.0007
 Gamma2 Fr= 1--     -0.0546                -0.0807                 0.0536
 Delta2 Fr= 1--      0.1121                -0.1048                 0.0025
 Raman1 Fr= 1--       4.823                  1.705                  5.562
 ROA1   Fr= 1--      -1.649                -11.105                  5.231
 CID1   Fr= 1--      -0.342                 -6.512                  0.940
 Raman2 Fr= 1--       1.079                  0.237                  1.908
 ROA2   Fr= 1--      -2.206                 -1.099                  1.267
 CID2   Fr= 1--      -2.044                 -4.630                  0.664
 Raman3 Fr= 1--       2.158                  0.475                  3.816
 ROA3   Fr= 1--      -1.649                -11.105                  5.231
 CID3   Fr= 1--      -0.764                -23.396                  1.371
 RC180  Fr= 1--      -0.105                 -0.443                  0.372
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.09  -0.02     0.03  -0.03  -0.03    -0.07   0.02   0.02
     2   6     0.02   0.08   0.03     0.01  -0.02   0.01     0.03   0.04   0.01
     3   6     0.09   0.04   0.01     0.07  -0.03   0.15    -0.10   0.02   0.01
     4   6    -0.01  -0.02  -0.04    -0.03  -0.01  -0.05    -0.10   0.04  -0.09
     5   6    -0.03  -0.01  -0.01     0.01   0.01  -0.05     0.03   0.04  -0.08
     6   6    -0.02   0.02   0.04     0.01  -0.02   0.00     0.02   0.03  -0.02
     7   6    -0.10  -0.02   0.02    -0.07  -0.03  -0.00    -0.06  -0.02  -0.04
     8   1     0.03   0.13  -0.04    -0.15  -0.02  -0.13    -0.08  -0.00   0.03
     9   6     0.16  -0.10  -0.02    -0.00   0.02  -0.02     0.04   0.06  -0.01
    10   1    -0.01   0.11   0.04    -0.00  -0.01   0.02     0.04   0.04   0.01
    11   1     0.00  -0.09  -0.10    -0.07  -0.02  -0.11    -0.18   0.09  -0.17
    12   6    -0.13  -0.06   0.01    -0.05   0.10  -0.06     0.08  -0.12  -0.05
    13   6    -0.02   0.01  -0.01     0.03   0.01   0.03     0.10  -0.05   0.19
    14   1    -0.07   0.02   0.08     0.03  -0.02   0.02     0.01   0.03   0.01
    15   1    -0.16  -0.04  -0.02    -0.08  -0.02  -0.02     0.00  -0.01  -0.00
    16   1    -0.13  -0.01   0.08    -0.10  -0.07   0.02    -0.08  -0.12  -0.06
    17   1    -0.27  -0.32   0.05     0.07   0.37  -0.20     0.08  -0.26   0.13
    18   1    -0.30   0.16   0.09     0.12  -0.15  -0.02     0.06  -0.10   0.00
    19   1     0.09  -0.08  -0.07    -0.38   0.11   0.04     0.20  -0.23  -0.23
    20   1    -0.07  -0.07   0.02     0.12   0.07   0.01     0.30  -0.24   0.23
    21   1     0.05   0.06   0.05    -0.05  -0.03  -0.00    -0.06   0.07   0.40
    22   1    -0.05   0.06  -0.10     0.03  -0.01   0.15     0.10  -0.06   0.27
    23   1     0.07   0.10  -0.04     0.18  -0.06  -0.17    -0.08  -0.02   0.03
    24   1     0.13   0.12   0.07     0.13   0.18   0.36    -0.11   0.09   0.09
    25   1     0.15  -0.06   0.04     0.14  -0.28   0.27    -0.04  -0.06   0.04
    26   1     0.15  -0.07  -0.02    -0.01   0.09  -0.02     0.06   0.08  -0.01
    27   1     0.06  -0.36   0.02     0.01   0.01   0.01     0.03   0.08  -0.03
    28   1     0.42  -0.10  -0.11    -0.03  -0.00  -0.09     0.00   0.05  -0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    390.0107               430.4381               451.9905
 Red. masses --      2.2832                 2.0798                 2.9778
 Frc consts  --      0.2046                 0.2270                 0.3584
 IR Inten    --      0.0136                 0.2588                 0.0651
 RamAct Fr= 1--      2.3129                 0.1275                 1.3554
  Dep-P Fr= 1--      0.1574                 0.4494                 0.7350
  Dep-U Fr= 1--      0.2719                 0.6201                 0.8472
 Alpha2 Fr= 1--      0.0351                 0.0008                 0.0003
 Beta2  Fr= 1--      0.1048                 0.0132                 0.1914
 AlphaG Fr= 1--      0.0062                 0.0005                -0.0015
 Gamma2 Fr= 1--      0.2670                 0.0458                -0.1307
 Delta2 Fr= 1--      0.1306                 0.0045                -0.0713
 Raman1 Fr= 1--       9.252                  0.510                  5.422
 ROA1   Fr= 1--      29.806                  4.545                -14.831
 CID1   Fr= 1--       3.222                  8.910                 -2.735
 Raman2 Fr= 1--       1.258                  0.158                  2.297
 ROA2   Fr= 1--       5.362                  1.064                 -2.566
 CID2   Fr= 1--       4.263                  6.729                 -1.117
 Raman3 Fr= 1--       2.516                  0.316                  4.593
 ROA3   Fr= 1--      29.806                  4.545                -14.831
 CID3   Fr= 1--      11.847                 14.369                 -3.229
 RC180  Fr= 1--      -0.456                  0.240                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.09  -0.04    -0.02   0.06   0.08    -0.14   0.07   0.04
     2   6     0.13  -0.04   0.05    -0.03   0.04  -0.05    -0.01   0.11   0.05
     3   6    -0.07   0.02   0.00     0.00  -0.00   0.07    -0.11  -0.02   0.05
     4   6    -0.04   0.06  -0.01    -0.04   0.02  -0.06    -0.01  -0.03   0.10
     5   6     0.03   0.07  -0.00    -0.03   0.07  -0.01     0.08  -0.14  -0.05
     6   6     0.11  -0.01   0.04     0.01   0.02   0.01    -0.02  -0.00   0.01
     7   6     0.02  -0.03   0.03     0.18  -0.14  -0.06     0.07  -0.00   0.02
     8   1    -0.15  -0.09  -0.13     0.08   0.01   0.17    -0.13   0.07   0.05
     9   6     0.06   0.14  -0.01    -0.01  -0.03   0.02     0.07   0.05  -0.00
    10   1     0.10  -0.04   0.05    -0.01   0.01  -0.06    -0.01   0.12   0.05
    11   1    -0.08   0.08  -0.05    -0.06   0.07  -0.03    -0.04   0.07   0.15
    12   6    -0.11  -0.02   0.03    -0.01  -0.00   0.00    -0.10   0.03  -0.12
    13   6    -0.08  -0.06  -0.08    -0.08   0.01  -0.04     0.17  -0.10  -0.08
    14   1     0.19  -0.01   0.09     0.03   0.02   0.15    -0.20  -0.01  -0.00
    15   1     0.05   0.02   0.02     0.42  -0.17   0.18     0.19  -0.01   0.13
    16   1    -0.01  -0.13   0.04     0.26  -0.34  -0.33     0.14  -0.02  -0.12
    17   1    -0.24  -0.19   0.00     0.00  -0.03   0.06    -0.21   0.08  -0.40
    18   1    -0.22   0.11   0.19     0.01  -0.04   0.05    -0.17   0.13  -0.09
    19   1    -0.04  -0.06  -0.04    -0.02  -0.06  -0.08    -0.18   0.18   0.12
    20   1    -0.26  -0.11  -0.05    -0.11  -0.00  -0.03     0.22  -0.07  -0.09
    21   1    -0.17  -0.07  -0.06    -0.12   0.01  -0.04     0.23  -0.10  -0.10
    22   1     0.04  -0.21  -0.21    -0.04  -0.04  -0.07     0.12  -0.03  -0.04
    23   1     0.10  -0.26  -0.13    -0.08   0.18   0.13    -0.15   0.03   0.05
    24   1    -0.13   0.02   0.02     0.03   0.16   0.24    -0.03  -0.10  -0.06
    25   1    -0.09   0.02   0.01     0.12  -0.19   0.13    -0.17   0.08   0.02
    26   1     0.10   0.29  -0.00    -0.05  -0.13   0.02     0.14   0.08  -0.02
    27   1     0.13   0.27   0.00    -0.02  -0.04   0.02     0.01  -0.02  -0.05
    28   1    -0.14   0.10  -0.10     0.06   0.00   0.10     0.12   0.05  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    482.0596               526.2842               578.5710
 Red. masses --      3.0696                 2.5742                 3.0690
 Frc consts  --      0.4203                 0.4201                 0.6053
 IR Inten    --      0.3693                 0.2430                 0.7191
 RamAct Fr= 1--      4.2219                 1.5819                 2.0503
  Dep-P Fr= 1--      0.1568                 0.1483                 0.6771
  Dep-U Fr= 1--      0.2711                 0.2583                 0.8074
 Alpha2 Fr= 1--      0.0641                 0.0246                 0.0026
 Beta2  Fr= 1--      0.1908                 0.0681                 0.2759
 AlphaG Fr= 1--      0.0310                 0.0043                 0.0007
 Gamma2 Fr= 1--      0.2512                -0.2299                 0.1858
 Delta2 Fr= 1--      0.1659                -0.1510                 0.1384
 Raman1 Fr= 1--      16.888                  6.328                  8.201
 ROA1   Fr= 1--      29.422                -26.907                 22.260
 CID1   Fr= 1--       1.742                 -4.252                  2.714
 Raman2 Fr= 1--       2.289                  0.817                  3.311
 ROA2   Fr= 1--       4.702                 -4.310                  3.351
 CID2   Fr= 1--       2.054                 -5.275                  1.012
 Raman3 Fr= 1--       4.578                  1.634                  6.622
 ROA3   Fr= 1--      29.422                -26.907                 22.260
 CID3   Fr= 1--       6.426                -16.464                  3.362
 RC180  Fr= 1--      -0.458                 -0.483                  0.615
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.01     0.02  -0.09   0.03     0.12   0.02  -0.01
     2   6     0.13   0.04  -0.02    -0.04  -0.01   0.23    -0.01  -0.08   0.03
     3   6    -0.04   0.03   0.02     0.03  -0.11  -0.03     0.04   0.25   0.00
     4   6    -0.10  -0.06   0.10     0.09  -0.00  -0.05    -0.05   0.11   0.08
     5   6    -0.17  -0.12   0.05    -0.06   0.02  -0.05    -0.05  -0.03  -0.06
     6   6    -0.05  -0.10  -0.11    -0.12   0.10   0.03    -0.00  -0.10   0.05
     7   6     0.00  -0.04  -0.06     0.08   0.06  -0.05     0.03  -0.02   0.13
     8   1    -0.06  -0.06  -0.01    -0.13   0.14  -0.18    -0.09  -0.01  -0.11
     9   6     0.18   0.10  -0.00     0.02   0.01  -0.01    -0.08  -0.07  -0.01
    10   1     0.24   0.04  -0.05    -0.01  -0.06   0.21    -0.09  -0.09   0.04
    11   1     0.01  -0.11   0.20     0.12   0.04   0.04     0.01  -0.03   0.02
    12   6     0.06   0.02   0.00    -0.01  -0.03  -0.07    -0.01  -0.05  -0.17
    13   6    -0.12   0.07   0.05    -0.05   0.06   0.02    -0.01  -0.00   0.01
    14   1    -0.16  -0.11  -0.11    -0.11   0.10  -0.05     0.05  -0.10   0.03
    15   1     0.11   0.07  -0.04     0.13  -0.17   0.18     0.27   0.08   0.27
    16   1     0.03  -0.07  -0.13     0.24   0.15  -0.29     0.08  -0.23  -0.07
    17   1     0.23   0.20   0.12     0.03  -0.05   0.02    -0.00  -0.02  -0.18
    18   1     0.15  -0.05  -0.36     0.01  -0.05  -0.09    -0.01  -0.04  -0.24
    19   1     0.15   0.13   0.14     0.03  -0.08  -0.15     0.01  -0.02  -0.14
    20   1    -0.04   0.13   0.03     0.06   0.04   0.02     0.15  -0.08   0.03
    21   1    -0.01   0.05   0.00    -0.01   0.08   0.05    -0.07   0.05   0.11
    22   1    -0.21   0.18   0.12    -0.12   0.14   0.08    -0.04   0.03   0.11
    23   1     0.03  -0.06  -0.03     0.16  -0.30  -0.11     0.25  -0.07  -0.14
    24   1    -0.00   0.01  -0.02    -0.06  -0.13  -0.02    -0.08   0.07  -0.15
    25   1    -0.03   0.05   0.00     0.03  -0.06  -0.05    -0.01   0.45  -0.10
    26   1     0.24   0.13  -0.01     0.29   0.18  -0.05    -0.08  -0.07  -0.01
    27   1     0.15   0.08  -0.04    -0.12  -0.08  -0.17    -0.08  -0.09   0.00
    28   1     0.18   0.09  -0.04    -0.02  -0.03  -0.17    -0.07  -0.07  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    667.8785               786.9762               790.2816
 Red. masses --      2.6108                 2.1724                 1.8277
 Frc consts  --      0.6861                 0.7927                 0.6725
 IR Inten    --      0.1234                 0.8280                 0.4148
 RamAct Fr= 1--     15.8605                 5.9251                 6.9121
  Dep-P Fr= 1--      0.0095                 0.1021                 0.1374
  Dep-U Fr= 1--      0.0189                 0.1853                 0.2416
 Alpha2 Fr= 1--      0.3447                 0.1032                 0.1103
 Beta2  Fr= 1--      0.0498                 0.1830                 0.2783
 AlphaG Fr= 1--     -0.0086                 0.0066                -0.1832
 Gamma2 Fr= 1--      0.1559                 0.1896                -2.6972
 Delta2 Fr= 1--      0.0692                 0.1844                -1.9563
 Raman1 Fr= 1--      63.442                 23.700                 27.648
 ROA1   Fr= 1--      17.184                 24.099               -321.529
 CID1   Fr= 1--       0.271                  1.017                -11.629
 Raman2 Fr= 1--       0.598                  2.196                  3.340
 ROA2   Fr= 1--       3.189                  3.075                -49.081
 CID2   Fr= 1--       5.332                  1.400                -14.697
 Raman3 Fr= 1--       1.196                  4.392                  6.679
 ROA3   Fr= 1--      17.184                 24.099               -321.529
 CID3   Fr= 1--      14.364                  5.487                -48.140
 RC180  Fr= 1--      -0.962                 -0.629                 -0.517
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.01   0.04     0.06  -0.12  -0.07    -0.09   0.06  -0.05
     2   6    -0.01  -0.02   0.08     0.01  -0.01  -0.09     0.01  -0.07   0.11
     3   6    -0.00   0.12  -0.01    -0.02  -0.02  -0.04    -0.02   0.09  -0.08
     4   6    -0.10   0.03  -0.08    -0.01   0.08  -0.07     0.03   0.04  -0.08
     5   6     0.03  -0.04   0.05    -0.03  -0.04   0.01    -0.03  -0.06   0.02
     6   6    -0.09  -0.00  -0.09    -0.12   0.06   0.03     0.05  -0.08   0.02
     7   6    -0.03  -0.01  -0.09    -0.02   0.05   0.17     0.06   0.04  -0.01
     8   1    -0.19   0.09  -0.14     0.37  -0.23   0.15     0.20   0.08   0.09
     9   6    -0.04  -0.03  -0.00     0.07   0.04  -0.01    -0.02  -0.03   0.03
    10   1     0.07  -0.11   0.05    -0.04   0.04  -0.07     0.04   0.05   0.12
    11   1    -0.13  -0.01  -0.18    -0.05   0.01  -0.21     0.11  -0.05  -0.05
    12   6     0.03   0.05   0.21    -0.00  -0.00   0.02    -0.01  -0.02   0.01
    13   6     0.11  -0.07  -0.05     0.03  -0.03  -0.02    -0.01  -0.01   0.01
    14   1    -0.17  -0.01  -0.21    -0.20   0.06  -0.14     0.11  -0.08  -0.04
    15   1     0.16  -0.02   0.09     0.13  -0.13   0.45    -0.04   0.07  -0.12
    16   1     0.06  -0.13  -0.32     0.11  -0.05  -0.13     0.02   0.11   0.11
    17   1     0.01   0.07   0.15     0.01   0.03   0.01     0.03   0.05  -0.00
    18   1     0.01   0.08   0.19    -0.00   0.01  -0.05    -0.00  -0.00  -0.14
    19   1     0.03   0.10   0.30     0.01   0.04   0.08     0.03   0.06   0.11
    20   1     0.03  -0.02  -0.06     0.10   0.00  -0.03    -0.02   0.03  -0.01
    21   1     0.18  -0.12  -0.12     0.14  -0.03  -0.04     0.07  -0.03  -0.04
    22   1     0.13  -0.09  -0.11    -0.05   0.07   0.01    -0.05   0.05   0.00
    23   1     0.23  -0.17  -0.14    -0.18   0.06   0.17    -0.32   0.06   0.16
    24   1    -0.13   0.10   0.01    -0.05   0.15   0.16     0.16   0.44   0.24
    25   1     0.11   0.13  -0.08    -0.09  -0.21   0.11    -0.01  -0.34   0.18
    26   1     0.09   0.01  -0.03    -0.07  -0.03   0.02     0.18   0.17  -0.01
    27   1    -0.12  -0.11  -0.09     0.15   0.09   0.09    -0.08   0.01  -0.10
    28   1    -0.01  -0.05  -0.06     0.09   0.06   0.07    -0.21  -0.10  -0.15
                     19                     20                     21
                      A                      A                      A
 Frequencies --    831.0843               862.9291               888.2313
 Red. masses --      2.2147                 2.3821                 2.1386
 Frc consts  --      0.9013                 1.0451                 0.9941
 IR Inten    --      0.5753                 0.6841                 0.7077
 RamAct Fr= 1--      2.5906                 9.3707                 4.0593
  Dep-P Fr= 1--      0.1483                 0.6633                 0.3072
  Dep-U Fr= 1--      0.2583                 0.7976                 0.4700
 Alpha2 Fr= 1--      0.0402                 0.0145                 0.0407
 Beta2  Fr= 1--      0.1115                 1.2456                 0.3180
 AlphaG Fr= 1--      0.0354                 0.1262                 0.0308
 Gamma2 Fr= 1--     -0.0285                 6.9741                -2.7038
 Delta2 Fr= 1--      0.1752                 3.3722                -0.9466
 Raman1 Fr= 1--      10.362                 37.483                 16.237
 ROA1   Fr= 1--       2.867                777.420               -289.858
 CID1   Fr= 1--       0.277                 20.741                -17.852
 Raman2 Fr= 1--       1.338                 14.948                  3.816
 ROA2   Fr= 1--      -2.087                140.400                -57.319
 CID2   Fr= 1--      -1.559                  9.393                -15.021
 Raman3 Fr= 1--       2.676                 29.895                  7.632
 ROA3   Fr= 1--       2.867                777.420               -289.858
 CID3   Fr= 1--       1.071                 26.005                -37.979
 RC180  Fr= 1--      -0.483                  0.595                 -0.060
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06  -0.05   0.07     0.11  -0.02   0.02    -0.12   0.09   0.08
     2   6     0.02  -0.00  -0.05    -0.03   0.07  -0.01     0.04  -0.04  -0.03
     3   6    -0.03   0.13   0.04    -0.04  -0.08  -0.01     0.05  -0.04  -0.01
     4   6     0.16   0.05  -0.08    -0.12   0.03  -0.07    -0.04  -0.06  -0.10
     5   6    -0.04  -0.08   0.03    -0.05  -0.11   0.04     0.05  -0.05   0.03
     6   6     0.01   0.13   0.02     0.12   0.03   0.14     0.05   0.03  -0.05
     7   6    -0.01  -0.11  -0.05     0.05   0.11  -0.08     0.04   0.07   0.15
     8   1    -0.29  -0.14   0.00     0.04   0.07  -0.07    -0.38   0.15  -0.09
     9   6     0.01   0.00  -0.02    -0.04   0.01  -0.03     0.02  -0.03  -0.02
    10   1     0.01  -0.12  -0.06    -0.20   0.05   0.02     0.05  -0.17  -0.04
    11   1     0.26  -0.00   0.01    -0.18   0.12  -0.07    -0.20  -0.10  -0.38
    12   6    -0.01  -0.03  -0.00    -0.02  -0.05  -0.00     0.01  -0.03  -0.02
    13   6    -0.01  -0.03   0.01    -0.01  -0.04   0.01    -0.07   0.03   0.04
    14   1    -0.01   0.13   0.14     0.17   0.03   0.35    -0.01   0.03  -0.28
    15   1    -0.30  -0.38  -0.11     0.09   0.33  -0.20     0.13   0.09   0.22
    16   1    -0.09  -0.03   0.15    -0.02   0.07   0.03     0.08   0.00   0.04
    17   1     0.03   0.05  -0.04     0.03   0.08  -0.06    -0.02  -0.00  -0.12
    18   1    -0.01   0.00  -0.19    -0.02   0.00  -0.27    -0.01   0.01  -0.05
    19   1     0.05   0.08   0.14     0.06   0.11   0.21     0.00   0.03   0.07
    20   1     0.03   0.10  -0.03     0.05   0.06  -0.02    -0.15   0.12   0.02
    21   1     0.24  -0.05  -0.07     0.22  -0.06  -0.06     0.04  -0.01  -0.05
    22   1    -0.17   0.18   0.03    -0.15   0.15   0.05    -0.10   0.08  -0.01
    23   1     0.06  -0.14  -0.05     0.18  -0.04  -0.05     0.11  -0.05  -0.15
    24   1    -0.20   0.09   0.07    -0.19  -0.06   0.06     0.08  -0.10  -0.09
    25   1    -0.05   0.18   0.02     0.09  -0.09  -0.08     0.23   0.02  -0.15
    26   1    -0.14  -0.06   0.01    -0.17  -0.16  -0.00    -0.14  -0.01   0.01
    27   1     0.12   0.10   0.08    -0.02  -0.08   0.07     0.17   0.17   0.08
    28   1    -0.03   0.02   0.07     0.15   0.06   0.11    -0.17  -0.03   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --    906.5927               931.4419               952.0107
 Red. masses --      2.1038                 2.0777                 1.5605
 Frc consts  --      1.0188                 1.0620                 0.8333
 IR Inten    --      0.3266                 0.2165                 0.9709
 RamAct Fr= 1--      1.2630                 5.0507                 4.5914
  Dep-P Fr= 1--      0.7444                 0.4215                 0.7098
  Dep-U Fr= 1--      0.8535                 0.5930                 0.8303
 Alpha2 Fr= 1--      0.0001                 0.0346                 0.0032
 Beta2  Fr= 1--      0.1797                 0.4992                 0.6354
 AlphaG Fr= 1--     -0.0006                -0.0251                 0.0005
 Gamma2 Fr= 1--      0.2355                -4.8862                 0.3278
 Delta2 Fr= 1--     -0.2089                -2.8357                 0.3074
 Raman1 Fr= 1--       5.052                 20.203                 18.365
 ROA1   Fr= 1--      15.919               -559.817                 41.307
 CID1   Fr= 1--       3.151                -27.710                  2.249
 Raman2 Fr= 1--       2.156                  5.991                  7.624
 ROA2   Fr= 1--       7.322                -94.583                  5.408
 CID2   Fr= 1--       3.396                -15.789                  0.709
 Raman3 Fr= 1--       4.312                 11.981                 15.249
 ROA3   Fr= 1--      15.919               -559.817                 41.307
 CID3   Fr= 1--       3.692                -46.725                  2.709
 RC180  Fr= 1--       0.707                  0.186                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04  -0.05    -0.07  -0.04   0.04     0.01   0.03   0.03
     2   6     0.07  -0.09   0.01    -0.03  -0.04  -0.04     0.01  -0.00  -0.00
     3   6     0.05   0.01  -0.02     0.02   0.10  -0.00    -0.01  -0.03  -0.03
     4   6    -0.07  -0.05   0.09    -0.00  -0.10  -0.04    -0.01  -0.00   0.01
     5   6    -0.04  -0.00   0.00    -0.03   0.04  -0.02    -0.09   0.05   0.04
     6   6     0.03   0.16   0.08    -0.08  -0.11   0.12     0.00   0.02  -0.03
     7   6    -0.10   0.02  -0.10     0.05   0.09  -0.05     0.02  -0.01   0.05
     8   1     0.11   0.01   0.04    -0.21  -0.19   0.05    -0.07   0.11  -0.06
     9   6     0.02  -0.07  -0.02     0.08   0.04  -0.02    -0.00  -0.00  -0.01
    10   1     0.01  -0.05   0.02    -0.21  -0.07  -0.00     0.05  -0.09  -0.02
    11   1     0.01  -0.06   0.20     0.07  -0.25  -0.09     0.02   0.02   0.08
    12   6    -0.01  -0.00   0.00     0.01   0.06   0.01    -0.11   0.03  -0.04
    13   6     0.02  -0.03  -0.02     0.03  -0.02  -0.03     0.11  -0.04   0.01
    14   1     0.17   0.16   0.17    -0.05  -0.12   0.28     0.03   0.02  -0.04
    15   1     0.16  -0.07   0.21     0.04   0.12  -0.09    -0.05  -0.03   0.01
    16   1     0.02  -0.10  -0.39     0.19   0.43  -0.12    -0.01  -0.00   0.12
    17   1     0.01   0.01   0.02    -0.01  -0.08   0.15     0.20   0.09   0.52
    18   1    -0.00  -0.01  -0.04     0.05  -0.04   0.23     0.11  -0.21  -0.36
    19   1     0.01   0.01   0.02    -0.06  -0.13  -0.25     0.15  -0.12  -0.33
    20   1     0.14  -0.04  -0.03     0.11  -0.05  -0.02    -0.17   0.07  -0.01
    21   1     0.07  -0.00   0.01     0.01   0.00   0.01     0.15  -0.16  -0.16
    22   1    -0.04   0.04   0.04     0.02  -0.01   0.02     0.21  -0.15  -0.19
    23   1    -0.12   0.07   0.04    -0.01  -0.05  -0.02     0.07  -0.06  -0.04
    24   1     0.28  -0.00  -0.11     0.01   0.10   0.01     0.01   0.03   0.02
    25   1     0.02  -0.01   0.01     0.12   0.05  -0.03     0.06  -0.10  -0.02
    26   1    -0.12   0.11   0.02    -0.12  -0.06   0.02    -0.05  -0.03  -0.00
    27   1     0.25   0.30   0.09     0.21   0.12   0.14     0.02   0.01   0.02
    28   1    -0.41  -0.12  -0.04     0.10   0.08   0.13    -0.00   0.00   0.02
                     25                     26                     27
                      A                      A                      A
 Frequencies --    966.3209               969.1494              1011.2833
 Red. masses --      1.5736                 1.6870                 1.5167
 Frc consts  --      0.8658                 0.9335                 0.9139
 IR Inten    --      1.5741                 0.5026                 0.0983
 RamAct Fr= 1--      2.1377                 2.1253                 1.6583
  Dep-P Fr= 1--      0.5935                 0.7464                 0.4867
  Dep-U Fr= 1--      0.7449                 0.8548                 0.6547
 Alpha2 Fr= 1--      0.0062                 0.0001                 0.0087
 Beta2  Fr= 1--      0.2654                 0.3028                 0.1809
 AlphaG Fr= 1--      0.0092                -0.0009                 0.0093
 Gamma2 Fr= 1--     -1.7701                 3.1849                -0.8826
 Delta2 Fr= 1--     -1.4587                 2.3282                 0.0438
 Raman1 Fr= 1--       8.551                  8.501                  6.633
 ROA1   Fr= 1--    -216.606                380.249                -83.328
 CID1   Fr= 1--     -25.332                 44.729                -12.562
 Raman2 Fr= 1--       3.185                  3.633                  2.171
 ROA2   Fr= 1--     -30.812                 57.811                -21.533
 CID2   Fr= 1--      -9.675                 15.912                 -9.917
 Raman3 Fr= 1--       6.369                  7.267                  4.343
 ROA3   Fr= 1--    -216.606                380.249                -83.328
 CID3   Fr= 1--     -34.008                 52.329                -19.188
 RC180  Fr= 1--       0.490                  0.710                  0.309
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.04  -0.03    -0.00   0.07   0.03     0.07   0.06  -0.02
     2   6    -0.04   0.01  -0.01     0.01  -0.02   0.00     0.06   0.01  -0.03
     3   6     0.09  -0.02   0.08    -0.01  -0.06  -0.03    -0.07  -0.01   0.03
     4   6     0.04   0.05  -0.05     0.02   0.05   0.01    -0.02  -0.03  -0.00
     5   6    -0.05  -0.00  -0.05    -0.09   0.01  -0.10    -0.01  -0.00   0.00
     6   6     0.04  -0.03  -0.00     0.01  -0.02  -0.01    -0.04   0.01  -0.00
     7   6    -0.02   0.02   0.01     0.03  -0.02   0.06     0.05  -0.01   0.02
     8   1    -0.00  -0.21   0.11    -0.09   0.23  -0.10     0.04   0.04  -0.02
     9   6     0.01   0.00   0.05     0.02  -0.00  -0.02    -0.03  -0.06   0.02
    10   1     0.07   0.27  -0.00    -0.02  -0.15  -0.01     0.22   0.07  -0.05
    11   1    -0.04   0.00  -0.23     0.06   0.13   0.16    -0.10   0.09  -0.01
    12   6    -0.04   0.02   0.05    -0.01   0.02   0.10     0.03   0.08  -0.02
    13   6    -0.00  -0.04  -0.02    -0.00  -0.03  -0.12    -0.04  -0.08   0.01
    14   1     0.16  -0.03   0.08     0.05  -0.02  -0.03    -0.07   0.02   0.06
    15   1     0.14   0.18   0.03    -0.09  -0.05  -0.01    -0.10  -0.03  -0.09
    16   1    -0.05  -0.18  -0.04    -0.05  -0.00   0.20     0.02   0.13   0.17
    17   1     0.09   0.06   0.26     0.03   0.06   0.13    -0.07  -0.15   0.05
    18   1     0.03  -0.05  -0.10    -0.00   0.03   0.02     0.03  -0.00   0.38
    19   1     0.08  -0.02  -0.03     0.02   0.06   0.14    -0.12  -0.16  -0.32
    20   1     0.14  -0.01  -0.04     0.56  -0.31  -0.06     0.13   0.12  -0.06
    21   1     0.12  -0.01  -0.02    -0.17   0.19   0.24     0.36  -0.07  -0.08
    22   1    -0.11   0.11   0.04    -0.12   0.07   0.24    -0.31   0.28   0.08
    23   1    -0.08   0.24  -0.00     0.09  -0.06  -0.06     0.08   0.05  -0.03
    24   1    -0.03  -0.32  -0.18     0.02   0.00   0.02    -0.09  -0.02   0.02
    25   1    -0.01   0.34  -0.09     0.06  -0.12  -0.03    -0.04   0.01   0.00
    26   1     0.25   0.18   0.01    -0.12  -0.06   0.00     0.09   0.12  -0.00
    27   1    -0.12  -0.03  -0.13     0.11   0.06   0.07    -0.04   0.04  -0.08
    28   1    -0.07  -0.05  -0.14    -0.00   0.02   0.07    -0.23  -0.12  -0.13
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1014.2616              1027.3514              1057.1050
 Red. masses --      1.9927                 1.4127                 2.1296
 Frc consts  --      1.2078                 0.8785                 1.4021
 IR Inten    --      0.4369                 0.7530                 1.7641
 RamAct Fr= 1--      6.9396                 0.5909                 1.0350
  Dep-P Fr= 1--      0.3754                 0.7112                 0.6418
  Dep-U Fr= 1--      0.5459                 0.8312                 0.7818
 Alpha2 Fr= 1--      0.0560                 0.0004                 0.0020
 Beta2  Fr= 1--      0.6314                 0.0819                 0.1349
 AlphaG Fr= 1--     -0.0635                 0.0042                -0.0002
 Gamma2 Fr= 1--      1.3465                 0.2965                -0.2042
 Delta2 Fr= 1--     -0.1382                -0.0535                 0.4053
 Raman1 Fr= 1--      27.758                  2.364                  4.140
 ROA1   Fr= 1--     124.842                 26.750                 -6.636
 CID1   Fr= 1--       4.497                 11.316                 -1.603
 Raman2 Fr= 1--       7.576                  0.982                  1.618
 ROA2   Fr= 1--      33.422                  7.543                 -8.144
 CID2   Fr= 1--       4.411                  7.678                 -5.032
 Raman3 Fr= 1--      15.152                  1.965                  3.237
 ROA3   Fr= 1--     124.842                 26.750                 -6.636
 CID3   Fr= 1--       8.239                 13.614                 -2.050
 RC180  Fr= 1--       0.092                  0.662                  0.564
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.11   0.04    -0.04  -0.03   0.02     0.04   0.05  -0.02
     2   6     0.06   0.08  -0.04    -0.04  -0.02   0.03     0.13   0.07   0.03
     3   6     0.03   0.06  -0.05     0.03   0.02  -0.05    -0.10   0.01   0.07
     4   6    -0.07  -0.12   0.03     0.01   0.00   0.04     0.09  -0.11  -0.03
     5   6    -0.02   0.02   0.01    -0.01  -0.00   0.00     0.02  -0.03  -0.07
     6   6     0.02   0.12  -0.03     0.06   0.02  -0.05     0.09  -0.04   0.01
     7   6     0.05   0.00   0.06    -0.05   0.00   0.00    -0.07   0.05   0.01
     8   1    -0.13  -0.29   0.08    -0.01   0.05  -0.01     0.05   0.02   0.01
     9   6    -0.09  -0.01   0.03    -0.01   0.08  -0.01    -0.10  -0.01  -0.05
    10   1     0.33   0.09  -0.09    -0.09  -0.21   0.02    -0.01   0.12   0.06
    11   1     0.03  -0.35  -0.05     0.08  -0.10   0.05     0.07  -0.24  -0.19
    12   6    -0.01  -0.02  -0.00     0.02   0.05  -0.02    -0.04   0.03   0.04
    13   6     0.02   0.01  -0.06    -0.03  -0.06   0.01    -0.03   0.02  -0.01
    14   1    -0.04   0.12   0.14     0.20   0.03  -0.14     0.14  -0.04  -0.14
    15   1     0.03   0.14  -0.05     0.15   0.15   0.07     0.04  -0.22   0.31
    16   1     0.01   0.09   0.19    -0.11  -0.32  -0.05     0.17   0.20  -0.35
    17   1     0.00   0.02  -0.03    -0.05  -0.10   0.03     0.08   0.06   0.25
    18   1    -0.02   0.01  -0.06     0.03  -0.01   0.23     0.04  -0.06  -0.09
    19   1     0.01   0.03   0.06    -0.07  -0.10  -0.21     0.07  -0.02  -0.05
    20   1     0.21  -0.17  -0.01     0.08   0.10  -0.04     0.03  -0.03  -0.00
    21   1    -0.17   0.10   0.13     0.26  -0.06  -0.06    -0.09   0.05   0.04
    22   1     0.04  -0.05   0.10    -0.22   0.20   0.05    -0.04   0.02   0.03
    23   1    -0.02  -0.16   0.04    -0.09  -0.17   0.05    -0.04  -0.08   0.05
    24   1     0.08   0.17   0.04     0.18   0.10  -0.02    -0.10  -0.03   0.02
    25   1     0.16  -0.12  -0.01    -0.05  -0.11   0.07    -0.33   0.08   0.14
    26   1     0.16   0.04  -0.02    -0.04  -0.18  -0.01    -0.20  -0.20  -0.04
    27   1    -0.28  -0.18  -0.17    -0.11  -0.18   0.03    -0.12  -0.16   0.02
    28   1     0.02  -0.04  -0.12     0.36   0.15   0.12     0.09   0.03   0.06
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1075.7647              1103.1734              1110.7312
 Red. masses --      1.4522                 1.6305                 1.3373
 Frc consts  --      0.9902                 1.1691                 0.9721
 IR Inten    --      0.2279                 1.5978                 1.4193
 RamAct Fr= 1--      7.7184                 5.3930                 1.3862
  Dep-P Fr= 1--      0.5119                 0.4595                 0.5403
  Dep-U Fr= 1--      0.6772                 0.6297                 0.7016
 Alpha2 Fr= 1--      0.0360                 0.0318                 0.0056
 Beta2  Fr= 1--      0.8711                 0.5660                 0.1621
 AlphaG Fr= 1--      0.0152                -0.0288                 0.0389
 Gamma2 Fr= 1--     -0.1644                 2.0479                -2.9284
 Delta2 Fr= 1--      0.7004                 1.1456                -1.6870
 Raman1 Fr= 1--      30.874                 21.572                  5.545
 ROA1   Fr= 1--       6.630                233.258               -335.110
 CID1   Fr= 1--       0.215                 10.813                -60.435
 Raman2 Fr= 1--      10.453                  6.792                  1.945
 ROA2   Fr= 1--      -9.549                 39.985                -56.786
 CID2   Fr= 1--      -0.913                  5.887                -29.195
 Raman3 Fr= 1--      20.907                 13.583                  3.890
 ROA3   Fr= 1--       6.630                233.258               -335.110
 CID3   Fr= 1--       0.317                 17.172                -86.143
 RC180  Fr= 1--       0.354                  0.259                  0.403
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03   0.03    -0.05  -0.01   0.06    -0.01   0.05   0.00
     2   6     0.07   0.09   0.02     0.10   0.04  -0.06     0.04  -0.06  -0.04
     3   6     0.03  -0.03  -0.03     0.04  -0.03  -0.07    -0.00  -0.02  -0.01
     4   6     0.06   0.06   0.01    -0.00   0.08  -0.01     0.04   0.03   0.03
     5   6     0.01  -0.03  -0.03     0.00  -0.02  -0.01     0.01   0.06  -0.01
     6   6    -0.04  -0.04   0.00     0.01  -0.09   0.06    -0.07  -0.02  -0.01
     7   6    -0.03  -0.00  -0.01    -0.06   0.05  -0.00    -0.03  -0.03   0.01
     8   1     0.02   0.14  -0.04    -0.26  -0.24   0.07    -0.02   0.10  -0.04
     9   6    -0.02  -0.06  -0.05    -0.06  -0.01   0.00    -0.02   0.04   0.02
    10   1     0.13  -0.04  -0.01     0.12   0.19  -0.04     0.28  -0.31  -0.12
    11   1     0.09  -0.09  -0.11     0.07   0.38   0.41    -0.21   0.11  -0.26
    12   6    -0.00   0.02   0.01     0.01   0.01  -0.00    -0.01  -0.05   0.01
    13   6    -0.00   0.02   0.01    -0.00  -0.00   0.02     0.00  -0.02   0.01
    14   1    -0.43  -0.05   0.34    -0.05  -0.09   0.02     0.19  -0.01   0.49
    15   1     0.22   0.44  -0.12    -0.07  -0.27   0.22     0.04   0.07   0.00
    16   1    -0.13  -0.28   0.02     0.03   0.01  -0.20     0.12   0.24  -0.11
    17   1     0.01  -0.01   0.07    -0.02  -0.03  -0.02     0.02   0.07  -0.09
    18   1     0.02  -0.01   0.06    -0.00   0.01   0.08    -0.04   0.03  -0.14
    19   1    -0.01  -0.03  -0.06    -0.03  -0.01  -0.02     0.05   0.08   0.17
    20   1    -0.08   0.01   0.02    -0.07   0.05   0.01    -0.01   0.06  -0.01
    21   1    -0.04  -0.01  -0.02     0.05  -0.04  -0.04     0.10  -0.03  -0.04
    22   1     0.03  -0.03  -0.02    -0.00   0.00  -0.04    -0.04   0.04  -0.02
    23   1    -0.06  -0.20   0.05     0.06  -0.05  -0.05    -0.02  -0.10   0.00
    24   1     0.03   0.02   0.02     0.13   0.05  -0.01     0.21  -0.01  -0.07
    25   1    -0.17  -0.05   0.10     0.35  -0.15  -0.16    -0.15  -0.02   0.08
    26   1    -0.22  -0.04  -0.01     0.04  -0.03  -0.02     0.12  -0.05  -0.01
    27   1     0.12   0.11   0.06    -0.15  -0.12  -0.07    -0.15  -0.14  -0.06
    28   1    -0.21  -0.06   0.02     0.03  -0.02  -0.06     0.17   0.05  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1126.7536              1180.1803              1193.5164
 Red. masses --      1.5369                 2.0135                 1.9676
 Frc consts  --      1.1496                 1.6523                 1.6514
 IR Inten    --      0.2296                 0.9376                 2.6898
 RamAct Fr= 1--      5.1579                 3.5372                 8.2927
  Dep-P Fr= 1--      0.5896                 0.6756                 0.5923
  Dep-U Fr= 1--      0.7418                 0.8064                 0.7439
 Alpha2 Fr= 1--      0.0154                 0.0047                 0.0243
 Beta2  Fr= 1--      0.6377                 0.4754                 1.0282
 AlphaG Fr= 1--      0.0154                -0.0588                 0.0703
 Gamma2 Fr= 1--     -1.6057                -0.4690                 1.5908
 Delta2 Fr= 1--     -0.9241                -0.7658                 0.8417
 Raman1 Fr= 1--      20.632                 14.149                 33.171
 ROA1   Fr= 1--    -183.720                -69.531                179.650
 CID1   Fr= 1--      -8.905                 -4.914                  5.416
 Raman2 Fr= 1--       7.653                  5.705                 12.339
 ROA2   Fr= 1--     -31.144                 -5.130                 31.446
 CID2   Fr= 1--      -4.070                 -0.899                  2.549
 Raman3 Fr= 1--      15.305                 11.410                 24.677
 ROA3   Fr= 1--    -183.720                -69.531                179.650
 CID3   Fr= 1--     -12.004                 -6.094                  7.280
 RC180  Fr= 1--       0.484                  0.613                  0.488
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.06     0.04  -0.06   0.08    -0.05  -0.02  -0.03
     2   6     0.06   0.02   0.09    -0.10   0.09  -0.01     0.07   0.06   0.09
     3   6     0.06   0.04   0.03    -0.01   0.02  -0.08     0.05  -0.03   0.04
     4   6    -0.06   0.01   0.02     0.03  -0.00   0.10    -0.04   0.02  -0.03
     5   6     0.04  -0.01  -0.04     0.09   0.07  -0.05    -0.11   0.12   0.02
     6   6    -0.02   0.02  -0.00     0.03  -0.04  -0.07    -0.03  -0.03  -0.09
     7   6     0.07  -0.04  -0.02    -0.05  -0.07   0.02    -0.00  -0.04   0.04
     8   1     0.08  -0.20   0.08    -0.11  -0.04  -0.01     0.11   0.06   0.01
     9   6    -0.03   0.01  -0.07     0.05  -0.05   0.00    -0.02  -0.02  -0.08
    10   1    -0.07  -0.02   0.11    -0.26   0.35   0.05     0.07   0.20   0.10
    11   1    -0.36   0.34  -0.10    -0.18   0.07  -0.15     0.23  -0.22   0.15
    12   6    -0.03   0.01   0.02    -0.04  -0.02   0.02     0.06  -0.05  -0.01
    13   6    -0.03  -0.01   0.01    -0.05  -0.05   0.01     0.04  -0.05   0.02
    14   1    -0.21   0.01  -0.13     0.19  -0.03  -0.06     0.36  -0.02   0.06
    15   1    -0.16  -0.15  -0.15     0.06   0.08  -0.00     0.01   0.04   0.00
    16   1     0.03   0.17   0.18     0.16   0.30  -0.16     0.11   0.23  -0.00
    17   1     0.05   0.05   0.13     0.07   0.11   0.07    -0.06  -0.02  -0.30
    18   1     0.02  -0.04  -0.09    -0.01  -0.02  -0.18    -0.10   0.15   0.08
    19   1     0.06   0.00  -0.01     0.10   0.05   0.08    -0.09   0.07   0.19
    20   1     0.01   0.04  -0.01     0.06   0.12  -0.04     0.01   0.07  -0.02
    21   1     0.04   0.00   0.01     0.18  -0.02  -0.01     0.21  -0.10  -0.10
    22   1    -0.08   0.07   0.02    -0.20   0.17   0.02     0.03  -0.00  -0.09
    23   1    -0.19  -0.07   0.10     0.14  -0.07  -0.02    -0.10   0.04   0.03
    24   1     0.38  -0.08  -0.21     0.06   0.19   0.07    -0.27  -0.11   0.07
    25   1     0.06   0.11  -0.01     0.05  -0.19   0.02     0.14   0.10  -0.09
    26   1    -0.23  -0.18  -0.03    -0.03   0.16   0.03    -0.27  -0.14  -0.03
    27   1     0.04  -0.05   0.11     0.16   0.20   0.01     0.10   0.02   0.10
    28   1     0.08   0.06   0.12    -0.22  -0.08  -0.01    -0.04   0.03   0.10
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1227.7599              1233.1765              1240.2200
 Red. masses --      1.8132                 1.4208                 2.2432
 Frc consts  --      1.6104                 1.2730                 2.0329
 IR Inten    --      0.3166                 1.4882                 1.4598
 RamAct Fr= 1--      5.5826                 2.9475                 1.7953
  Dep-P Fr= 1--      0.7489                 0.6273                 0.2690
  Dep-U Fr= 1--      0.8564                 0.7710                 0.4239
 Alpha2 Fr= 1--      0.0001                 0.0066                 0.0202
 Beta2  Fr= 1--      0.7968                 0.3787                 0.1268
 AlphaG Fr= 1--      0.0008                -0.0222                -0.0194
 Gamma2 Fr= 1--      1.3624                -0.9971                -0.8793
 Delta2 Fr= 1--      0.1743                 0.1454                -0.1387
 Raman1 Fr= 1--      22.330                 11.790                  7.181
 ROA1   Fr= 1--     136.371                -91.073                -88.856
 CID1   Fr= 1--       6.107                 -7.725                -12.374
 Raman2 Fr= 1--       9.562                  4.545                  1.522
 ROA2   Fr= 1--      31.305                -25.094                -19.995
 CID2   Fr= 1--       3.274                 -5.522                -13.136
 Raman3 Fr= 1--      19.124                  9.090                  3.044
 ROA3   Fr= 1--     136.371                -91.073                -88.856
 CID3   Fr= 1--       7.131                -10.019                -29.189
 RC180  Fr= 1--       0.713                  0.542                 -0.152
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.05  -0.02    -0.05  -0.04  -0.03    -0.02   0.01   0.04
     2   6     0.03  -0.05   0.01    -0.01  -0.02  -0.03     0.05   0.01  -0.03
     3   6    -0.06  -0.00   0.01     0.06   0.01   0.01     0.04  -0.04  -0.01
     4   6     0.01  -0.08  -0.04    -0.06   0.04  -0.00     0.03   0.05   0.02
     5   6     0.09   0.16  -0.06     0.09  -0.00   0.00    -0.04   0.12   0.23
     6   6    -0.05  -0.01   0.07     0.07   0.01   0.02     0.02  -0.05   0.08
     7   6     0.01   0.02  -0.00    -0.04  -0.06   0.01    -0.02  -0.01  -0.08
     8   1    -0.09  -0.21   0.07     0.23   0.38  -0.11    -0.04   0.07  -0.01
     9   6    -0.01   0.01  -0.00    -0.01   0.02   0.02    -0.01  -0.00   0.00
    10   1    -0.01  -0.01   0.02     0.11  -0.23  -0.07    -0.05   0.13   0.01
    11   1     0.26  -0.10   0.32     0.15  -0.07   0.21    -0.14  -0.08  -0.39
    12   6    -0.04  -0.07   0.03    -0.03   0.01  -0.00     0.00  -0.03  -0.06
    13   6    -0.03  -0.05   0.02    -0.03  -0.01  -0.01     0.01  -0.04  -0.08
    14   1    -0.32  -0.01  -0.23    -0.37  -0.01  -0.01    -0.29  -0.07  -0.51
    15   1     0.14   0.29  -0.09     0.03   0.04  -0.00    -0.03  -0.05  -0.08
    16   1    -0.14  -0.30   0.10     0.18   0.39  -0.15    -0.02   0.01  -0.09
    17   1     0.09   0.17  -0.04     0.03   0.03   0.10    -0.04  -0.02  -0.18
    18   1    -0.06   0.03  -0.24     0.04  -0.07  -0.07    -0.03   0.02  -0.15
    19   1     0.13   0.09   0.20     0.07  -0.02  -0.06    -0.05  -0.05  -0.09
    20   1     0.05   0.14  -0.04     0.05   0.02  -0.02     0.30  -0.14  -0.06
    21   1     0.19  -0.03  -0.02     0.03   0.03   0.04     0.05   0.10   0.12
    22   1    -0.15   0.14  -0.01    -0.10   0.08   0.06    -0.05   0.00   0.16
    23   1     0.05   0.12  -0.04    -0.10   0.02   0.02     0.01  -0.10  -0.00
    24   1     0.01   0.00  -0.01    -0.35  -0.02   0.14     0.05  -0.03  -0.01
    25   1     0.07  -0.03  -0.04     0.15   0.10  -0.09    -0.22   0.03   0.10
    26   1     0.01  -0.04  -0.01     0.07  -0.00   0.00     0.01  -0.01  -0.00
    27   1    -0.03  -0.05   0.00    -0.05  -0.04  -0.02    -0.04  -0.03  -0.02
    28   1     0.05   0.02  -0.00     0.05   0.01  -0.02    -0.01  -0.01  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1252.6331              1268.4988              1301.0037
 Red. masses --      1.5828                 1.5510                 1.8904
 Frc consts  --      1.4633                 1.4704                 1.8852
 IR Inten    --      1.3783                 1.5234                 2.2020
 RamAct Fr= 1--      3.6178                 3.4678                 7.5233
  Dep-P Fr= 1--      0.3256                 0.5816                 0.4320
  Dep-U Fr= 1--      0.4912                 0.7354                 0.6033
 Alpha2 Fr= 1--      0.0343                 0.0109                 0.0495
 Beta2  Fr= 1--      0.2962                 0.4251                 0.7565
 AlphaG Fr= 1--      0.1034                 0.0184                -0.0250
 Gamma2 Fr= 1--     -0.1188                 0.3251                 0.9623
 Delta2 Fr= 1--     -0.7449                 0.6996                 0.2464
 Raman1 Fr= 1--      14.471                 13.871                 30.093
 ROA1   Fr= 1--     -35.242                 53.592                100.261
 CID1   Fr= 1--      -2.435                  3.864                  3.332
 Raman2 Fr= 1--       3.554                  5.101                  9.078
 ROA2   Fr= 1--       3.107                  2.205                 21.123
 CID2   Fr= 1--       0.874                  0.432                  2.327
 Raman3 Fr= 1--       7.109                 10.201                 18.156
 ROA3   Fr= 1--     -35.242                 53.592                100.261
 CID3   Fr= 1--      -4.958                  5.253                  5.522
 RC180  Fr= 1--      -0.018                  0.471                  0.207
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.04  -0.05     0.03   0.04   0.01    -0.03  -0.00   0.02
     2   6     0.04  -0.05   0.07     0.00  -0.02  -0.00     0.05  -0.07  -0.01
     3   6    -0.04  -0.02  -0.03    -0.01  -0.02  -0.00    -0.00  -0.03  -0.05
     4   6     0.07   0.01   0.04     0.01   0.03  -0.05     0.01   0.07   0.15
     5   6     0.06  -0.05   0.09    -0.08  -0.04  -0.03    -0.08   0.00  -0.14
     6   6    -0.05   0.03  -0.04     0.03   0.06   0.05     0.03   0.03   0.06
     7   6    -0.04  -0.04  -0.00    -0.05  -0.14   0.04     0.03  -0.01  -0.05
     8   1    -0.10  -0.32   0.11    -0.15  -0.26   0.08    -0.01   0.05  -0.00
     9   6    -0.01   0.02  -0.04    -0.01   0.00   0.01    -0.02   0.03   0.00
    10   1     0.03   0.07   0.09    -0.06  -0.01   0.01    -0.05   0.14   0.04
    11   1    -0.11   0.12  -0.13     0.09   0.09   0.13    -0.09  -0.39  -0.47
    12   6    -0.03   0.03  -0.03     0.03   0.01   0.01     0.03  -0.00   0.03
    13   6    -0.02   0.02  -0.04     0.03   0.02   0.01     0.03  -0.01   0.05
    14   1     0.11   0.03   0.14    -0.07   0.06  -0.34    -0.29   0.02  -0.15
    15   1     0.14   0.27  -0.07     0.22   0.48  -0.17    -0.07  -0.16  -0.03
    16   1     0.00  -0.00  -0.06     0.19   0.42  -0.09    -0.02   0.02   0.06
    17   1     0.00  -0.02   0.07    -0.04  -0.06  -0.02     0.00  -0.00  -0.01
    18   1     0.04  -0.07  -0.03    -0.01   0.04   0.11    -0.04   0.08   0.09
    19   1     0.04  -0.05  -0.15    -0.08  -0.01   0.01    -0.06   0.03   0.09
    20   1     0.09  -0.10  -0.01    -0.09  -0.03   0.03    -0.16   0.10   0.02
    21   1    -0.09   0.09   0.09    -0.05  -0.04  -0.06    -0.00  -0.10  -0.10
    22   1    -0.02  -0.01   0.11     0.08  -0.05  -0.05     0.01   0.04  -0.13
    23   1     0.07   0.35  -0.09     0.05  -0.01  -0.02     0.18   0.34  -0.14
    24   1    -0.35   0.08   0.20     0.22  -0.03  -0.10    -0.18   0.05   0.11
    25   1     0.38  -0.08  -0.21    -0.19  -0.01   0.08     0.11  -0.11  -0.06
    26   1    -0.09  -0.11  -0.02     0.04   0.01   0.00     0.04  -0.07  -0.01
    27   1     0.02  -0.06   0.07    -0.02  -0.02  -0.00    -0.05  -0.07   0.02
    28   1     0.07   0.05   0.07     0.02   0.00  -0.01     0.09   0.03  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1323.1731              1332.6604              1350.7865
 Red. masses --      1.3851                 1.6423                 1.4411
 Frc consts  --      1.4288                 1.7184                 1.5492
 IR Inten    --      0.1637                 1.1869                 0.0926
 RamAct Fr= 1--      4.3853                 3.2640                 2.4514
  Dep-P Fr= 1--      0.6689                 0.5878                 0.6280
  Dep-U Fr= 1--      0.8016                 0.7404                 0.7715
 Alpha2 Fr= 1--      0.0063                 0.0099                 0.0054
 Beta2  Fr= 1--      0.5859                 0.4028                 0.3152
 AlphaG Fr= 1--      0.0011                 0.0100                -0.0011
 Gamma2 Fr= 1--      4.6350                -2.4624                -0.9288
 Delta2 Fr= 1--      2.9164                -1.3503                -0.7689
 Raman1 Fr= 1--      17.541                 13.056                  9.806
 ROA1   Fr= 1--     538.288               -279.602               -113.765
 CID1   Fr= 1--      30.687                -21.416                -11.602
 Raman2 Fr= 1--       7.030                  4.833                  3.783
 ROA2   Fr= 1--      87.910                -48.295                -16.139
 CID2   Fr= 1--      12.504                 -9.992                 -4.267
 Raman3 Fr= 1--      14.061                  9.667                  7.565
 ROA3   Fr= 1--     538.288               -279.602               -113.765
 CID3   Fr= 1--      38.283                -28.924                -15.038
 RC180  Fr= 1--       0.603                  0.481                  0.543
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.01     0.01   0.00  -0.06    -0.01  -0.09   0.04
     2   6     0.02  -0.01  -0.06    -0.01   0.06  -0.00    -0.01  -0.08   0.00
     3   6     0.03   0.03   0.01    -0.04   0.03   0.04    -0.08   0.05   0.03
     4   6     0.03  -0.05   0.03     0.10  -0.08   0.03     0.05  -0.05  -0.04
     5   6     0.01  -0.03  -0.04    -0.12   0.05  -0.02    -0.04   0.01   0.03
     6   6    -0.10   0.01   0.10     0.08  -0.01  -0.01     0.03   0.01  -0.02
     7   6     0.01  -0.02  -0.02    -0.03   0.01   0.01    -0.02  -0.00   0.02
     8   1     0.13   0.31  -0.09     0.08  -0.03  -0.00     0.17   0.44  -0.16
     9   6    -0.01   0.00  -0.01     0.01  -0.01   0.03    -0.01   0.02  -0.03
    10   1     0.19   0.25  -0.06    -0.20  -0.42  -0.03     0.20   0.48   0.03
    11   1    -0.16   0.21  -0.01    -0.27   0.33  -0.11    -0.05   0.20   0.05
    12   6    -0.01  -0.00   0.00     0.04  -0.01   0.02     0.01  -0.01  -0.00
    13   6     0.01   0.01   0.01     0.03  -0.01   0.01     0.01   0.01  -0.01
    14   1     0.42   0.03  -0.40    -0.30  -0.02  -0.01    -0.21   0.00   0.12
    15   1     0.08   0.19  -0.11     0.08   0.06   0.08     0.07   0.09   0.03
    16   1    -0.06  -0.10   0.05    -0.02  -0.05  -0.05     0.01   0.00  -0.03
    17   1     0.03   0.02   0.05    -0.06  -0.03  -0.14    -0.00   0.00  -0.04
    18   1    -0.01   0.00   0.03    -0.02   0.07  -0.04    -0.03   0.04   0.02
    19   1     0.02   0.02   0.03    -0.10  -0.02   0.03    -0.03  -0.02  -0.02
    20   1    -0.07   0.02   0.01    -0.02   0.01   0.00     0.01  -0.04   0.00
    21   1    -0.06  -0.01  -0.00    -0.01  -0.05  -0.04    -0.01   0.00  -0.01
    22   1     0.02   0.00  -0.02     0.02   0.00  -0.07     0.02  -0.02   0.01
    23   1    -0.16  -0.34   0.09    -0.20  -0.20   0.11     0.15   0.27  -0.06
    24   1    -0.25   0.04   0.13    -0.11   0.03   0.06     0.37   0.03  -0.16
    25   1     0.13   0.04  -0.05     0.43   0.01  -0.20     0.16  -0.01  -0.06
    26   1     0.01  -0.03  -0.02     0.04   0.07   0.03    -0.01  -0.07  -0.03
    27   1     0.01   0.03   0.00    -0.05   0.00  -0.07     0.04  -0.01   0.08
    28   1     0.06   0.01  -0.03    -0.08  -0.04  -0.05     0.10   0.05   0.05
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1359.4811              1376.3828              1391.6089
 Red. masses --      1.3066                 1.4115                 1.4558
 Frc consts  --      1.4228                 1.5754                 1.6611
 IR Inten    --      0.7444                 0.5669                 1.2329
 RamAct Fr= 1--      2.0116                 3.1564                 2.6333
  Dep-P Fr= 1--      0.6736                 0.6696                 0.4375
  Dep-U Fr= 1--      0.8050                 0.8021                 0.6087
 Alpha2 Fr= 1--      0.0027                 0.0045                 0.0170
 Beta2  Fr= 1--      0.2699                 0.4220                 0.2671
 AlphaG Fr= 1--      0.0039                -0.0165                 0.0397
 Gamma2 Fr= 1--      1.9509                -0.6192                 1.2006
 Delta2 Fr= 1--      0.2872                -0.5134                -0.1949
 Raman1 Fr= 1--       8.046                 12.626                 10.533
 ROA1   Fr= 1--     196.481                -75.872                109.022
 CID1   Fr= 1--      24.419                 -6.009                 10.350
 Raman2 Fr= 1--       3.239                  5.064                  3.206
 ROA2   Fr= 1--      44.525                -10.753                 30.375
 CID2   Fr= 1--      13.748                 -2.124                  9.475
 Raman3 Fr= 1--       6.477                 10.127                  6.411
 ROA3   Fr= 1--     196.481                -75.872                109.022
 CID3   Fr= 1--      30.335                 -7.492                 17.004
 RC180  Fr= 1--       0.610                  0.604                  0.217
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.00     0.03   0.00  -0.03    -0.05  -0.09   0.01
     2   6    -0.08   0.05   0.05    -0.07   0.04   0.01     0.10   0.10  -0.01
     3   6     0.04   0.02  -0.04    -0.10  -0.02   0.06    -0.04   0.02   0.00
     4   6     0.01  -0.05   0.00     0.01   0.09   0.02     0.00   0.01  -0.01
     5   6    -0.02   0.01  -0.01     0.02  -0.01   0.01     0.01  -0.01   0.00
     6   6     0.04  -0.03   0.05    -0.00  -0.02   0.04    -0.07  -0.01   0.03
     7   6    -0.01   0.02  -0.01    -0.00  -0.01  -0.01     0.00  -0.01  -0.00
     8   1    -0.05  -0.11   0.02     0.03  -0.05   0.00     0.14   0.19  -0.05
     9   6     0.02  -0.01  -0.04     0.01  -0.02  -0.02    -0.04  -0.04   0.03
    10   1     0.68  -0.26  -0.13     0.39  -0.14  -0.10    -0.31  -0.48  -0.01
    11   1    -0.14   0.20   0.03     0.20  -0.37  -0.18     0.03  -0.02   0.00
    12   6     0.00  -0.01  -0.00    -0.01  -0.00  -0.03    -0.00   0.01   0.01
    13   6     0.01  -0.01   0.00    -0.00  -0.00  -0.01    -0.02   0.01   0.00
    14   1     0.01  -0.03  -0.17     0.12  -0.02  -0.16     0.30   0.00  -0.18
    15   1    -0.01  -0.05   0.04    -0.07  -0.03  -0.07     0.01   0.08  -0.07
    16   1    -0.00  -0.02  -0.03     0.03  -0.00  -0.09    -0.00  -0.02   0.00
    17   1     0.02   0.02  -0.02     0.05   0.01   0.09    -0.04  -0.02  -0.02
    18   1    -0.03   0.04   0.02    -0.00  -0.03   0.10     0.04  -0.04  -0.06
    19   1    -0.01   0.00   0.02     0.04   0.06   0.05     0.01  -0.02  -0.02
    20   1    -0.03   0.02  -0.00    -0.03   0.00  -0.00     0.06  -0.03   0.01
    21   1    -0.03  -0.01   0.01    -0.01   0.02   0.03     0.06   0.00  -0.02
    22   1    -0.02   0.03  -0.01    -0.02   0.01   0.05     0.05  -0.07  -0.01
    23   1     0.13   0.37  -0.09    -0.10  -0.16   0.07     0.22   0.49  -0.17
    24   1    -0.13   0.06   0.07     0.34  -0.07  -0.17     0.17   0.00  -0.09
    25   1    -0.25  -0.01   0.12     0.46  -0.06  -0.22     0.05  -0.04  -0.01
    26   1    -0.13   0.03  -0.01    -0.05   0.07  -0.00     0.12   0.12   0.00
    27   1     0.07   0.02   0.04     0.06   0.05   0.02     0.00   0.13  -0.05
    28   1    -0.03   0.03   0.12    -0.02   0.01   0.07     0.10  -0.04  -0.03
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1404.2098              1411.5867              1422.4428
 Red. masses --      1.2616                 1.2346                 1.2177
 Frc consts  --      1.4656                 1.4494                 1.4516
 IR Inten    --      6.5069                 4.4366                 7.0671
 RamAct Fr= 1--      0.5587                 0.2745                 0.4565
  Dep-P Fr= 1--      0.1615                 0.2127                 0.0855
  Dep-U Fr= 1--      0.2781                 0.3509                 0.1575
 Alpha2 Fr= 1--      0.0084                 0.0036                 0.0083
 Beta2  Fr= 1--      0.0259                 0.0161                 0.0120
 AlphaG Fr= 1--      0.0109                 0.0010                -0.0011
 Gamma2 Fr= 1--      0.1445                -0.0360                 0.0166
 Delta2 Fr= 1--     -0.0237                 0.0764                 0.0268
 Raman1 Fr= 1--       2.235                  1.098                  1.826
 ROA1   Fr= 1--      13.117                 -1.014                  2.455
 CID1   Fr= 1--       5.869                 -0.924                  1.344
 Raman2 Fr= 1--       0.311                  0.193                  0.144
 ROA2   Fr= 1--       3.658                 -1.476                  0.185
 CID2   Fr= 1--      11.773                 -7.666                  1.285
 Raman3 Fr= 1--       0.621                  0.385                  0.288
 ROA3   Fr= 1--      13.117                 -1.014                  2.455
 CID3   Fr= 1--      21.106                 -2.634                  8.537
 RC180  Fr= 1--      -0.444                 -0.298                 -0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00     0.01   0.02  -0.01     0.00   0.00  -0.00
     2   6     0.03   0.01  -0.00    -0.00  -0.01   0.01    -0.00  -0.01  -0.00
     3   6     0.00   0.01  -0.00     0.01  -0.01  -0.00     0.01   0.01  -0.00
     4   6     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.01  -0.01   0.01
     5   6    -0.01   0.01   0.03    -0.01   0.01   0.00    -0.01   0.01   0.00
     6   6    -0.00  -0.00  -0.01     0.02  -0.00  -0.02     0.02  -0.00   0.00
     7   6    -0.00   0.00   0.01    -0.00   0.01   0.00    -0.01  -0.00  -0.01
     8   1     0.03   0.03  -0.00    -0.05  -0.06   0.01    -0.02  -0.01  -0.00
     9   6     0.01   0.01   0.01    -0.11  -0.07  -0.03    -0.01  -0.00   0.00
    10   1    -0.15  -0.06   0.02     0.01   0.04   0.01    -0.02  -0.00   0.00
    11   1    -0.02   0.06   0.02    -0.01   0.02   0.00    -0.05   0.05  -0.02
    12   6    -0.01  -0.02  -0.10     0.00  -0.00  -0.01    -0.02  -0.02  -0.09
    13   6     0.08  -0.05  -0.03     0.02  -0.01  -0.01    -0.08   0.05   0.02
    14   1    -0.01  -0.00   0.01    -0.08  -0.01   0.05    -0.07  -0.00  -0.00
    15   1    -0.02   0.02  -0.02    -0.02  -0.02   0.01     0.06  -0.01   0.06
    16   1     0.02  -0.03  -0.05     0.00  -0.02  -0.02    -0.03   0.03   0.06
    17   1     0.19  -0.00   0.32     0.01  -0.00   0.02     0.17   0.00   0.29
    18   1    -0.05  -0.04   0.41    -0.01   0.01   0.03    -0.04  -0.06   0.39
    19   1     0.08   0.27   0.33    -0.01   0.02   0.03     0.11   0.25   0.30
    20   1    -0.32   0.14  -0.05    -0.06   0.04  -0.01     0.36  -0.15   0.05
    21   1    -0.32   0.06   0.20    -0.06   0.01   0.04     0.37  -0.04  -0.20
    22   1    -0.21   0.29   0.13    -0.05   0.07   0.02     0.23  -0.34  -0.11
    23   1     0.04   0.07  -0.03    -0.06  -0.07   0.04    -0.02  -0.00   0.01
    24   1    -0.01  -0.02  -0.03    -0.06  -0.01   0.03    -0.06  -0.01   0.01
    25   1    -0.04  -0.02   0.03    -0.02   0.01   0.01    -0.01  -0.02   0.02
    26   1    -0.04  -0.03   0.02     0.45   0.30  -0.11     0.04   0.01  -0.01
    27   1    -0.05  -0.04  -0.05     0.30   0.39   0.27     0.01   0.02   0.01
    28   1    -0.06  -0.02  -0.05     0.50   0.07   0.20     0.03   0.00   0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1486.2610              1487.8690              1493.9979
 Red. masses --      1.0566                 1.0579                 1.0630
 Frc consts  --      1.3752                 1.3798                 1.3980
 IR Inten    --      1.2080                 0.9042                 3.9325
 RamAct Fr= 1--      2.0076                 9.2118                 2.3924
  Dep-P Fr= 1--      0.7294                 0.7488                 0.7448
  Dep-U Fr= 1--      0.8435                 0.8563                 0.8537
 Alpha2 Fr= 1--      0.0007                 0.0002                 0.0002
 Beta2  Fr= 1--      0.2823                 1.3147                 0.3404
 AlphaG Fr= 1--     -0.0041                -0.0030                -0.0021
 Gamma2 Fr= 1--      0.8326                -0.4621                -0.8144
 Delta2 Fr= 1--      0.5714                 0.4314                 0.0763
 Raman1 Fr= 1--       8.030                 36.847                  9.569
 ROA1   Fr= 1--      98.211                -30.558                -75.742
 CID1   Fr= 1--      12.230                 -0.829                 -7.915
 Raman2 Fr= 1--       3.387                 15.777                  4.085
 ROA2   Fr= 1--      15.410                -14.542                -20.157
 CID2   Fr= 1--       4.550                 -0.922                 -4.935
 Raman3 Fr= 1--       6.774                 31.553                  8.170
 ROA3   Fr= 1--      98.211                -30.558                -75.742
 CID3   Fr= 1--      14.498                 -0.968                 -9.271
 RC180  Fr= 1--       0.687                  0.713                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.03   0.01   0.00    -0.04   0.02   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
     3   6    -0.01  -0.02   0.00    -0.00  -0.03  -0.00    -0.01  -0.01  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00  -0.01  -0.00
     5   6    -0.01   0.01   0.02    -0.00  -0.00  -0.01    -0.01  -0.00   0.00
     6   6    -0.00  -0.01  -0.00     0.01   0.00  -0.00     0.01   0.00  -0.00
     7   6    -0.01  -0.00  -0.02     0.01   0.00   0.02     0.00   0.00   0.02
     8   1    -0.02   0.01  -0.02     0.24  -0.06   0.17     0.35  -0.09   0.25
     9   6     0.00  -0.00  -0.00    -0.00  -0.01   0.01     0.00  -0.01   0.01
    10   1    -0.00  -0.00  -0.00    -0.02  -0.02   0.00     0.06   0.04   0.00
    11   1     0.01  -0.01  -0.01    -0.01   0.01   0.01    -0.01   0.02   0.00
    12   6    -0.04   0.01   0.01    -0.00  -0.03   0.01    -0.00   0.02  -0.00
    13   6     0.02   0.01   0.03     0.00   0.02  -0.02    -0.01  -0.02   0.01
    14   1     0.01  -0.01  -0.01    -0.02   0.00   0.01    -0.03   0.00   0.02
    15   1     0.12  -0.03   0.12    -0.10   0.00  -0.08    -0.10   0.02  -0.09
    16   1    -0.06   0.07   0.14     0.05  -0.05  -0.10     0.05  -0.05  -0.11
    17   1    -0.07   0.15  -0.28     0.20   0.33  -0.03    -0.13  -0.17  -0.03
    18   1     0.13  -0.25   0.20    -0.19   0.23   0.13     0.14  -0.19  -0.01
    19   1     0.47   0.03  -0.08     0.07  -0.11  -0.15     0.06   0.08   0.08
    20   1     0.14  -0.22   0.08    -0.23  -0.27   0.09     0.20   0.31  -0.10
    21   1    -0.29  -0.24  -0.27     0.18  -0.04  -0.14    -0.07   0.10   0.19
    22   1    -0.14   0.26  -0.22    -0.01  -0.03   0.35     0.07  -0.06  -0.29
    23   1    -0.02   0.02   0.02     0.18  -0.15  -0.19     0.27  -0.21  -0.28
    24   1     0.08   0.11   0.10     0.09   0.18   0.16     0.07   0.11   0.09
    25   1    -0.03   0.14  -0.08    -0.05   0.22  -0.12    -0.03   0.14  -0.08
    26   1    -0.02   0.03   0.01    -0.08   0.01   0.02    -0.14  -0.01   0.03
    27   1    -0.01   0.01  -0.03    -0.01   0.10  -0.10    -0.01   0.16  -0.14
    28   1     0.01   0.00   0.02     0.09  -0.01  -0.05     0.15  -0.01  -0.09
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1498.6975              1499.0458              1505.3903
 Red. masses --      1.0529                 1.0533                 1.0693
 Frc consts  --      1.3934                 1.3946                 1.4277
 IR Inten    --      4.2601                 3.5160                 2.1380
 RamAct Fr= 1--      4.0090                 3.8774                14.7705
  Dep-P Fr= 1--      0.7496                 0.6700                 0.7500
  Dep-U Fr= 1--      0.8569                 0.8024                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0055                 0.0000
 Beta2  Fr= 1--      0.5725                 0.5185                 2.1100
 AlphaG Fr= 1--     -0.0005                 0.0012                -0.0002
 Gamma2 Fr= 1--      2.8990                -1.4889                 2.1386
 Delta2 Fr= 1--      1.7416                -1.2789                -0.6301
 Raman1 Fr= 1--      16.036                 15.510                 59.082
 ROA1   Fr= 1--     334.033               -183.855                185.141
 CID1   Fr= 1--      20.830                -11.854                  3.134
 Raman2 Fr= 1--       6.870                  6.222                 25.320
 ROA2   Fr= 1--      55.643                -25.502                 56.368
 CID2   Fr= 1--       8.099                 -4.098                  2.226
 Raman3 Fr= 1--      13.741                 12.445                 50.641
 ROA3   Fr= 1--     334.033               -183.855                185.141
 CID3   Fr= 1--      24.310                -14.774                  3.656
 RC180  Fr= 1--       0.714                  0.605                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00    -0.01   0.00   0.00     0.01   0.00  -0.00
     2   6    -0.02   0.03  -0.00     0.02  -0.01  -0.02     0.00  -0.01   0.01
     3   6    -0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.01   0.02  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.01   0.00     0.00  -0.01   0.01
     5   6    -0.01   0.00  -0.00    -0.01   0.00  -0.01    -0.03   0.02  -0.02
     6   6     0.00  -0.00   0.00    -0.00   0.01   0.00     0.01   0.00   0.00
     7   6     0.00   0.00   0.02     0.01   0.00   0.02     0.01   0.00   0.02
     8   1     0.09  -0.03   0.06     0.08   0.02   0.04    -0.09   0.01  -0.05
     9   6    -0.02   0.04  -0.01     0.02  -0.01  -0.04    -0.00  -0.00   0.01
    10   1     0.01  -0.05  -0.02    -0.08   0.01  -0.00     0.03   0.05   0.01
    11   1    -0.01   0.01  -0.00    -0.01   0.01   0.00    -0.02   0.01  -0.01
    12   6    -0.01   0.00   0.00    -0.01   0.01   0.00    -0.02   0.02   0.02
    13   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.03
    14   1     0.02  -0.00  -0.02    -0.00   0.01   0.00    -0.04   0.00  -0.00
    15   1    -0.09   0.01  -0.08    -0.11   0.03  -0.11    -0.14   0.02  -0.13
    16   1     0.04  -0.06  -0.10     0.05  -0.07  -0.11     0.07  -0.08  -0.16
    17   1    -0.03   0.02  -0.08    -0.05  -0.02  -0.06    -0.20  -0.07  -0.26
    18   1     0.05  -0.09   0.05     0.06  -0.10   0.04     0.23  -0.35   0.09
    19   1     0.13   0.02  -0.01     0.10   0.03   0.02     0.36   0.09   0.03
    20   1    -0.02   0.02  -0.01    -0.03   0.03  -0.01    -0.25  -0.05   0.01
    21   1     0.04   0.02   0.02     0.07   0.04   0.04     0.26   0.09   0.06
    22   1     0.02  -0.03   0.03     0.04  -0.06   0.05     0.06  -0.14   0.34
    23   1     0.08  -0.04  -0.07     0.05  -0.05  -0.06    -0.07   0.05   0.07
    24   1     0.03   0.04   0.03     0.01   0.05   0.05    -0.11  -0.14  -0.12
    25   1    -0.01   0.04  -0.02    -0.02   0.06  -0.03     0.02  -0.19   0.12
    26   1     0.45  -0.43  -0.11     0.09   0.45  -0.02    -0.12  -0.03   0.03
    27   1     0.21  -0.17   0.51    -0.11  -0.44   0.11    -0.02   0.13  -0.13
    28   1    -0.32  -0.06  -0.22    -0.25   0.13   0.59     0.13  -0.02  -0.10
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1507.1191              1519.3962              1526.8140
 Red. masses --      1.0710                 1.0643                 1.0831
 Frc consts  --      1.4333                 1.4476                 1.4876
 IR Inten    --     10.2064                 7.2456                 6.8999
 RamAct Fr= 1--      3.0026                 2.4208                 4.2136
  Dep-P Fr= 1--      0.6748                 0.7126                 0.4018
  Dep-U Fr= 1--      0.8058                 0.8322                 0.5733
 Alpha2 Fr= 1--      0.0040                 0.0016                 0.0310
 Beta2  Fr= 1--      0.4033                 0.3358                 0.4026
 AlphaG Fr= 1--     -0.0104                -0.0095                -0.0000
 Gamma2 Fr= 1--     -3.1455                -1.8052                 2.3564
 Delta2 Fr= 1--     -0.7079                -0.7081                 0.9756
 Raman1 Fr= 1--      12.010                  9.683                 16.854
 ROA1   Fr= 1--    -324.624               -195.959                257.429
 CID1   Fr= 1--     -27.028                -20.237                 15.274
 Raman2 Fr= 1--       4.839                  4.029                  4.831
 ROA2   Fr= 1--     -69.830                -37.660                 48.748
 CID2   Fr= 1--     -14.430                 -9.347                 10.090
 Raman3 Fr= 1--       9.678                  8.058                  9.662
 ROA3   Fr= 1--    -324.624               -195.959                257.429
 CID3   Fr= 1--     -33.541                -24.318                 26.643
 RC180  Fr= 1--       0.612                  0.664                  0.147
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.00     0.01   0.00  -0.00    -0.03   0.02   0.00
     2   6     0.01   0.00  -0.00     0.01  -0.00  -0.00    -0.01   0.00  -0.00
     3   6    -0.00  -0.05  -0.00     0.01   0.03   0.00    -0.00   0.04   0.01
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.01  -0.01
     5   6    -0.02  -0.02  -0.01    -0.01  -0.03   0.01    -0.01  -0.01   0.00
     6   6    -0.00   0.00   0.00     0.00   0.01  -0.00     0.00  -0.01  -0.00
     7   6    -0.00  -0.00  -0.02     0.01   0.00   0.04    -0.02  -0.01  -0.05
     8   1    -0.22   0.05  -0.16    -0.06   0.02  -0.04     0.23  -0.05   0.16
     9   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.01
    10   1    -0.02  -0.02   0.00    -0.04  -0.00   0.01     0.01  -0.01  -0.01
    11   1    -0.00  -0.01  -0.01    -0.01   0.01  -0.01     0.01   0.00  -0.01
    12   6    -0.01  -0.01   0.01    -0.01  -0.03   0.01    -0.01  -0.01   0.01
    13   6    -0.01  -0.03  -0.01    -0.01  -0.01   0.02     0.00  -0.01  -0.01
    14   1     0.02   0.00  -0.01    -0.00   0.01   0.01     0.01  -0.01   0.00
    15   1     0.11  -0.02   0.10    -0.23   0.05  -0.23     0.33  -0.05   0.31
    16   1    -0.05   0.06   0.12     0.12  -0.13  -0.27    -0.16   0.20   0.37
    17   1     0.06   0.17  -0.10     0.20   0.40  -0.12     0.05   0.19  -0.12
    18   1    -0.04   0.02   0.14    -0.18   0.20   0.19    -0.04   0.03   0.09
    19   1     0.17  -0.04  -0.09     0.18  -0.13  -0.22     0.16  -0.06  -0.12
    20   1    -0.06   0.37  -0.12     0.24   0.18  -0.06    -0.10   0.15  -0.05
    21   1     0.13   0.24   0.33    -0.13   0.02   0.08     0.06   0.12   0.16
    22   1     0.13  -0.20   0.01     0.04  -0.01  -0.30     0.04  -0.08   0.07
    23   1    -0.17   0.14   0.18    -0.05   0.03   0.05     0.17  -0.15  -0.19
    24   1     0.16   0.25   0.23    -0.11  -0.18  -0.16    -0.11  -0.21  -0.20
    25   1    -0.06   0.33  -0.18     0.04  -0.23   0.13     0.07  -0.28   0.15
    26   1    -0.01  -0.01   0.01    -0.02   0.01   0.01     0.04   0.04  -0.01
    27   1    -0.01   0.02  -0.02    -0.02   0.01  -0.03     0.01  -0.04   0.05
    28   1     0.01  -0.01  -0.03     0.02  -0.00  -0.00    -0.04   0.01   0.06
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3019.8670              3021.3210              3023.7470
 Red. masses --      1.0377                 1.0427                 1.0744
 Frc consts  --      5.5759                 5.6082                 5.7875
 IR Inten    --     22.2771                12.9046                 9.5695
 RamAct Fr= 1--    143.6175                 2.5817                68.4611
  Dep-P Fr= 1--      0.0171                 0.7269                 0.5723
  Dep-U Fr= 1--      0.0336                 0.8418                 0.7280
 Alpha2 Fr= 1--      3.0665                 0.0010                 0.2292
 Beta2  Fr= 1--      0.8034                 0.3622                 8.3066
 AlphaG Fr= 1--      0.0417                -0.0071                -0.2471
 Gamma2 Fr= 1--     -1.1239                 3.9095               -15.3145
 Delta2 Fr= 1--     -0.3600                 2.3352               -13.5770
 Raman1 Fr= 1--     574.470                 10.327                273.844
 ROA1   Fr= 1--    -119.413                450.040              -1904.654
 CID1   Fr= 1--      -0.208                 43.579                 -6.955
 Raman2 Fr= 1--       9.640                  4.347                 99.679
 ROA2   Fr= 1--     -24.094                 75.147               -258.931
 CID2   Fr= 1--      -2.499                 17.288                 -2.598
 Raman3 Fr= 1--      19.281                  8.693                199.359
 ROA3   Fr= 1--    -119.413                450.040              -1904.654
 CID3   Fr= 1--      -6.193                 51.768                 -9.554
 RC180  Fr= 1--      -0.933                  0.684                  0.456
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.00     0.00   0.00   0.01     0.01   0.00   0.02
     2   6     0.00  -0.00   0.02    -0.00   0.00  -0.02    -0.01   0.01  -0.06
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.01  -0.01
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.00
     7   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     8   1    -0.03   0.03   0.07     0.02  -0.02  -0.04     0.03  -0.03  -0.04
     9   6    -0.04  -0.02  -0.02    -0.01  -0.00   0.00    -0.01  -0.01   0.01
    10   1    -0.04   0.02  -0.19     0.05  -0.03   0.26     0.14  -0.10   0.79
    11   1     0.01   0.01  -0.00    -0.01  -0.01   0.01     0.05   0.03  -0.03
    12   6    -0.00  -0.00  -0.00     0.02  -0.00   0.03    -0.01   0.00   0.00
    13   6     0.00  -0.00   0.00    -0.03   0.01  -0.01     0.02  -0.01   0.00
    14   1     0.00  -0.12   0.00    -0.00   0.05  -0.00    -0.00   0.13  -0.00
    15   1     0.00  -0.00  -0.00    -0.01   0.01   0.01     0.00  -0.00  -0.01
    16   1    -0.01   0.00  -0.01     0.01  -0.00   0.01     0.02  -0.01   0.01
    17   1    -0.02   0.01   0.01     0.18  -0.11  -0.07     0.03  -0.02  -0.01
    18   1     0.04   0.03   0.00    -0.36  -0.26  -0.04     0.03   0.02   0.00
    19   1     0.01  -0.04   0.02    -0.06   0.37  -0.24     0.00  -0.01   0.01
    20   1     0.00   0.00   0.01    -0.02  -0.06  -0.23     0.01   0.04   0.14
    21   1    -0.00   0.01  -0.01     0.05  -0.36   0.25    -0.03   0.21  -0.15
    22   1    -0.01  -0.01  -0.00     0.35   0.27   0.05    -0.22  -0.16  -0.03
    23   1    -0.03   0.00  -0.04    -0.04   0.00  -0.05    -0.18   0.02  -0.20
    24   1     0.01  -0.02   0.02    -0.00   0.01  -0.01     0.05  -0.12   0.11
    25   1    -0.01  -0.01  -0.01     0.02   0.02   0.04    -0.01  -0.01  -0.02
    26   1     0.10  -0.03   0.63     0.01  -0.00   0.04    -0.00  -0.00  -0.01
    27   1     0.41  -0.20  -0.26     0.08  -0.04  -0.05     0.14  -0.07  -0.08
    28   1    -0.06   0.48  -0.14    -0.01   0.09  -0.02    -0.02   0.15  -0.04
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3026.9132              3027.8711              3038.4451
 Red. masses --      1.0530                 1.0566                 1.0767
 Frc consts  --      5.6843                 5.7074                 5.8566
 IR Inten    --     26.0919                45.8577                82.6128
 RamAct Fr= 1--    124.2309               195.3474                47.9550
  Dep-P Fr= 1--      0.1599                 0.1353                 0.4431
  Dep-U Fr= 1--      0.2757                 0.2384                 0.6141
 Alpha2 Fr= 1--      1.8727                 3.1337                 0.3022
 Beta2  Fr= 1--      5.7083                 7.7616                 4.9080
 AlphaG Fr= 1--      0.4030                -0.2097                 0.3464
 Gamma2 Fr= 1--     20.0174                -0.3350                 5.3957
 Delta2 Fr= 1--      7.8966                 6.5214                 5.7613
 Raman1 Fr= 1--     496.923                781.389                191.820
 ROA1   Fr= 1--    2174.366                176.524                702.348
 CID1   Fr= 1--       4.376                  0.226                  3.661
 Raman2 Fr= 1--      68.500                 93.139                 58.896
 ROA2   Fr= 1--     417.246                -60.212                 83.406
 CID2   Fr= 1--       6.091                 -0.646                  1.416
 Raman3 Fr= 1--     137.000                186.279                117.792
 ROA3   Fr= 1--    2174.366                176.524                702.348
 CID3   Fr= 1--      15.871                  0.948                  5.963
 RC180  Fr= 1--      -0.449                 -0.523                  0.228
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.00     0.02  -0.01  -0.00     0.03  -0.01   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.02     0.00  -0.00   0.02
     3   6     0.00  -0.04   0.01    -0.00   0.03  -0.01    -0.00  -0.02  -0.00
     4   6     0.01   0.01  -0.01    -0.02  -0.01   0.01     0.01   0.01  -0.01
     5   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.01  -0.00    -0.00   0.02   0.00     0.00  -0.06   0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.08  -0.09  -0.17    -0.08   0.09   0.16    -0.12   0.13   0.25
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01  -0.01
    10   1     0.00  -0.00   0.01    -0.05   0.03  -0.26    -0.04   0.03  -0.22
    11   1    -0.11  -0.08   0.07     0.19   0.13  -0.12    -0.09  -0.07   0.06
    12   6     0.01   0.00   0.02     0.02  -0.00   0.02     0.00   0.00   0.01
    13   6     0.02  -0.01   0.00     0.02  -0.01   0.00     0.01  -0.00   0.00
    14   1     0.01  -0.13   0.00     0.01  -0.20   0.00    -0.03   0.76   0.00
    15   1     0.02  -0.01  -0.02    -0.01   0.01   0.01     0.04  -0.03  -0.04
    16   1    -0.04   0.01  -0.02     0.01  -0.00   0.01    -0.02   0.01  -0.01
    17   1     0.13  -0.08  -0.06     0.12  -0.08  -0.05     0.03  -0.02  -0.01
    18   1    -0.24  -0.18  -0.03    -0.32  -0.23  -0.03    -0.07  -0.05  -0.01
    19   1    -0.04   0.25  -0.16    -0.05   0.32  -0.21    -0.01   0.06  -0.04
    20   1     0.01   0.05   0.17     0.01   0.04   0.14     0.00   0.01   0.05
    21   1    -0.04   0.26  -0.18    -0.03   0.20  -0.14    -0.01   0.06  -0.04
    22   1    -0.24  -0.18  -0.03    -0.20  -0.15  -0.03    -0.07  -0.05  -0.01
    23   1     0.19  -0.02   0.22    -0.12   0.01  -0.14    -0.25   0.02  -0.29
    24   1    -0.14   0.37  -0.37     0.12  -0.31   0.31    -0.04   0.11  -0.11
    25   1     0.13   0.13   0.24    -0.10  -0.10  -0.19     0.08   0.09   0.16
    26   1     0.01  -0.00   0.04    -0.00   0.00  -0.02     0.01  -0.00   0.07
    27   1     0.02  -0.01  -0.01    -0.06   0.03   0.04     0.02  -0.00  -0.01
    28   1    -0.01   0.05  -0.01     0.01  -0.08   0.02     0.01  -0.06   0.02
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3039.7185              3050.1306              3055.0251
 Red. masses --      1.0732                 1.0805                 1.0976
 Frc consts  --      5.8424                 5.9226                 6.0356
 IR Inten    --     34.6523                70.2164                17.8729
 RamAct Fr= 1--    197.6383               223.9892               122.8215
  Dep-P Fr= 1--      0.1043                 0.1357                 0.2370
  Dep-U Fr= 1--      0.1888                 0.2390                 0.3832
 Alpha2 Fr= 1--      3.4243                 3.5895                 1.5090
 Beta2  Fr= 1--      6.2206                 8.9231                 7.8449
 AlphaG Fr= 1--     -0.0358                -0.8258                 0.1277
 Gamma2 Fr= 1--     -7.0684               -19.6343                -5.3482
 Delta2 Fr= 1--      2.7155                -9.8004                -7.6313
 Raman1 Fr= 1--     790.553                895.957                491.286
 ROA1   Fr= 1--    -591.671              -2198.507               -757.630
 CID1   Fr= 1--      -0.748                 -2.454                 -1.542
 Raman2 Fr= 1--      74.647                107.077                 94.139
 ROA2   Fr= 1--    -191.366               -392.820                -67.307
 CID2   Fr= 1--      -2.564                 -3.669                 -0.715
 Raman3 Fr= 1--     149.294                214.153                188.278
 ROA3   Fr= 1--    -591.671              -2198.507               -757.630
 CID3   Fr= 1--      -3.963                -10.266                 -4.024
 RC180  Fr= 1--      -0.622                 -0.522                 -0.234
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.02     0.01   0.00   0.02     0.01  -0.02  -0.04
     2   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
     3   6     0.01   0.02   0.01    -0.01  -0.03  -0.01     0.03  -0.01   0.06
     4   6    -0.02  -0.01   0.01    -0.05  -0.03   0.03    -0.01  -0.01   0.01
     5   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.05  -0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
     7   6     0.01  -0.00   0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
     8   1     0.10  -0.12  -0.23     0.04  -0.05  -0.08    -0.24   0.26   0.47
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.01
    10   1    -0.00   0.00  -0.02    -0.01   0.01  -0.05     0.03  -0.02   0.15
    11   1     0.26   0.18  -0.17     0.60   0.40  -0.38     0.15   0.10  -0.10
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    13   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    14   1    -0.02   0.54   0.00    -0.00  -0.05   0.00     0.00  -0.06  -0.00
    15   1     0.04  -0.03  -0.03    -0.08   0.06   0.08    -0.03   0.02   0.03
    16   1    -0.11   0.03  -0.06     0.16  -0.05   0.08     0.04  -0.01   0.02
    17   1     0.01  -0.01  -0.00    -0.01   0.00   0.00    -0.03   0.02   0.01
    18   1    -0.03  -0.02  -0.00     0.04   0.03   0.00     0.02   0.01   0.00
    19   1    -0.01   0.04  -0.03     0.01  -0.05   0.04    -0.00   0.03  -0.02
    20   1     0.00   0.01   0.02    -0.00  -0.01  -0.03     0.00  -0.00  -0.01
    21   1    -0.00   0.01  -0.00     0.01  -0.05   0.03     0.00  -0.02   0.02
    22   1    -0.04  -0.03  -0.01     0.02   0.01   0.00    -0.01  -0.01  -0.00
    23   1     0.39  -0.04   0.44    -0.13   0.01  -0.14     0.06  -0.01   0.06
    24   1     0.04  -0.10   0.11    -0.06   0.15  -0.15    -0.13   0.37  -0.34
    25   1    -0.12  -0.13  -0.23     0.17   0.19   0.32    -0.22  -0.25  -0.41
    26   1     0.01  -0.00   0.08    -0.00  -0.00  -0.00    -0.02   0.00  -0.09
    27   1     0.05  -0.02  -0.03    -0.01   0.00   0.00     0.03  -0.02  -0.02
    28   1    -0.00   0.05  -0.01     0.00  -0.02   0.01    -0.01   0.04  -0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3070.0185              3070.9889              3075.4809
 Red. masses --      1.1009                 1.0745                 1.0966
 Frc consts  --      6.1135                 5.9703                 6.1112
 IR Inten    --      0.3110                 6.0774                33.4201
 RamAct Fr= 1--     18.0147               260.5449                91.7119
  Dep-P Fr= 1--      0.5366                 0.0313                 0.3939
  Dep-U Fr= 1--      0.6984                 0.0607                 0.5652
 Alpha2 Fr= 1--      0.0741                 5.3800                 0.6942
 Beta2  Fr= 1--      2.0970                 2.6348                 8.6390
 AlphaG Fr= 1--     -0.1658                -0.6729                 0.2257
 Gamma2 Fr= 1--      5.4206                16.2497               -59.6296
 Delta2 Fr= 1--      0.7649                 8.9873               -37.9744
 Raman1 Fr= 1--      72.059               1042.180                366.848
 ROA1   Fr= 1--     544.860               1847.564              -6939.620
 CID1   Fr= 1--       7.561                  1.773                -18.917
 Raman2 Fr= 1--      25.164                 31.618                103.668
 ROA2   Fr= 1--     123.976                318.094              -1127.315
 CID2   Fr= 1--       4.927                 10.061                -10.874
 Raman3 Fr= 1--      50.328                 63.235                207.336
 ROA3   Fr= 1--     544.860               1847.564              -6939.620
 CID3   Fr= 1--      10.826                 29.217                -33.470
 RC180  Fr= 1--       0.397                 -0.879                  0.130
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01    -0.01   0.01   0.03     0.01   0.01   0.05
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00     0.01   0.01   0.02     0.02  -0.00   0.04
     4   6     0.00   0.00  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.04   0.00  -0.05     0.02  -0.00   0.02
     8   1     0.04  -0.04  -0.07     0.13  -0.14  -0.25     0.18  -0.19  -0.34
     9   6     0.00   0.00  -0.01    -0.00   0.00  -0.00     0.01   0.01  -0.04
    10   1    -0.00   0.00  -0.03    -0.01   0.01  -0.08     0.00   0.00  -0.00
    11   1    -0.03  -0.02   0.02    -0.11  -0.07   0.07     0.05   0.04  -0.03
    12   6    -0.03  -0.06   0.02     0.01   0.01  -0.00     0.00  -0.00  -0.00
    13   6     0.02   0.05  -0.01     0.00  -0.01   0.01    -0.01  -0.01  -0.00
    14   1    -0.00  -0.00  -0.00    -0.00   0.11  -0.00     0.00  -0.05   0.00
    15   1    -0.02   0.01   0.02    -0.20   0.16   0.19     0.11  -0.09  -0.11
    16   1     0.07  -0.02   0.03     0.67  -0.21   0.34    -0.31   0.10  -0.16
    17   1    -0.01  -0.02   0.01    -0.02   0.02   0.01    -0.03   0.02   0.01
    18   1     0.46   0.32   0.06    -0.08  -0.06  -0.01     0.01   0.01   0.00
    19   1    -0.09   0.47  -0.32     0.01  -0.03   0.02    -0.00   0.01  -0.01
    20   1     0.01   0.01  -0.01    -0.00  -0.02  -0.04     0.00   0.01   0.05
    21   1     0.06  -0.32   0.22    -0.02   0.09  -0.06    -0.01   0.06  -0.04
    22   1    -0.32  -0.24  -0.05     0.00   0.00   0.00     0.10   0.08   0.01
    23   1    -0.03   0.00  -0.04    -0.07   0.01  -0.06    -0.28   0.03  -0.30
    24   1    -0.00   0.01  -0.01    -0.02   0.06  -0.06    -0.07   0.19  -0.18
    25   1    -0.01  -0.02  -0.03    -0.12  -0.14  -0.23    -0.16  -0.19  -0.30
    26   1     0.01  -0.00   0.05     0.01  -0.00   0.05     0.06  -0.02   0.35
    27   1    -0.02   0.01   0.01     0.00   0.00  -0.00    -0.16   0.08   0.09
    28   1     0.00  -0.03   0.01     0.00  -0.01   0.00     0.03  -0.23   0.05
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3076.7280              3081.3466              3086.0948
 Red. masses --      1.1004                 1.1001                 1.1006
 Frc consts  --      6.1372                 6.1541                 6.1758
 IR Inten    --     61.9016                66.6751                55.1578
 RamAct Fr= 1--    164.9294                87.1133                75.5801
  Dep-P Fr= 1--      0.7500                 0.6575                 0.7210
  Dep-U Fr= 1--      0.8571                 0.7934                 0.8379
 Alpha2 Fr= 1--      0.0000                 0.1441                 0.0377
 Beta2  Fr= 1--     23.5612                11.5186                10.5548
 AlphaG Fr= 1--      0.0012                 0.0852                -0.0579
 Gamma2 Fr= 1--     -7.4056                52.7565                 1.0052
 Delta2 Fr= 1--     -3.6029                34.1061                 3.5015
 Raman1 Fr= 1--     659.718                348.453                302.320
 ROA1   Fr= 1--    -826.235               6156.017                208.545
 CID1   Fr= 1--      -1.252                 17.667                  0.690
 Raman2 Fr= 1--     282.735                138.224                126.658
 ROA2   Fr= 1--    -148.912                993.307                 -3.888
 CID2   Fr= 1--      -0.527                  7.186                 -0.031
 Raman3 Fr= 1--     565.470                276.447                253.316
 ROA3   Fr= 1--    -826.235               6156.017                208.545
 CID3   Fr= 1--      -1.461                 22.268                  0.823
 RC180  Fr= 1--       0.714                  0.587                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.01     0.00   0.01   0.03     0.00   0.01   0.02
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.02     0.00  -0.00   0.01
     3   6    -0.00  -0.00  -0.01     0.01   0.00   0.01     0.00   0.00   0.01
     4   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.01
     8   1    -0.03   0.03   0.05     0.09  -0.10  -0.18     0.07  -0.08  -0.13
     9   6    -0.00   0.00   0.00    -0.04   0.03   0.07     0.03  -0.07   0.03
    10   1     0.00  -0.00  -0.00    -0.03   0.02  -0.19    -0.03   0.02  -0.15
    11   1     0.02   0.01  -0.01     0.01   0.00  -0.00     0.01   0.01  -0.01
    12   6    -0.02  -0.05   0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   6    -0.03  -0.06   0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   1     0.00   0.03   0.00     0.00  -0.02   0.00    -0.00   0.05   0.00
    15   1    -0.01   0.01   0.01     0.05  -0.04  -0.05     0.05  -0.04  -0.05
    16   1     0.04  -0.01   0.02    -0.11   0.03  -0.05    -0.07   0.02  -0.04
    17   1     0.00  -0.01   0.00    -0.03   0.02   0.01    -0.03   0.02   0.01
    18   1     0.33   0.23   0.05    -0.00  -0.00  -0.00     0.01   0.00   0.00
    19   1    -0.06   0.33  -0.23    -0.00   0.02  -0.01    -0.00   0.02  -0.02
    20   1    -0.01  -0.02  -0.00     0.00   0.01   0.04     0.00   0.01   0.04
    21   1    -0.09   0.46  -0.32     0.00  -0.01   0.01    -0.00   0.00  -0.00
    22   1     0.45   0.33   0.07     0.01   0.01   0.00     0.02   0.02   0.00
    23   1     0.04  -0.00   0.04    -0.12   0.02  -0.12    -0.12   0.02  -0.14
    24   1     0.01  -0.03   0.03    -0.02   0.06  -0.05    -0.02   0.05  -0.04
    25   1     0.03   0.03   0.05    -0.05  -0.06  -0.10    -0.04  -0.05  -0.08
    26   1    -0.01   0.00  -0.03    -0.11   0.03  -0.52    -0.06   0.00  -0.37
    27   1     0.03  -0.01  -0.02     0.58  -0.27  -0.34    -0.26   0.11   0.17
    28   1    -0.00   0.00   0.00     0.01  -0.12   0.05    -0.08   0.75  -0.20
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3105.7597              3120.3603              3128.1721
 Red. masses --      1.0993                 1.0943                 1.0984
 Frc consts  --      6.2472                 6.2775                 6.3330
 IR Inten    --     33.7823                26.6740                41.6252
 RamAct Fr= 1--     23.5439                54.6027               121.4385
  Dep-P Fr= 1--      0.7372                 0.5048                 0.4398
  Dep-U Fr= 1--      0.8487                 0.6710                 0.6109
 Alpha2 Fr= 1--      0.0051                 0.2636                 0.7753
 Beta2  Fr= 1--      3.3304                 6.1060                12.3642
 AlphaG Fr= 1--     -0.0173                -0.0348                 0.1920
 Gamma2 Fr= 1--     -3.2735                 2.7448                 2.6394
 Delta2 Fr= 1--     -1.9744                 1.0671                 1.2955
 Raman1 Fr= 1--      94.176                218.411                485.754
 ROA1   Fr= 1--    -377.436                297.649                294.842
 CID1   Fr= 1--      -4.008                  1.363                  0.607
 Raman2 Fr= 1--      39.964                 73.273                148.371
 ROA2   Fr= 1--     -62.768                 57.339                 52.982
 CID2   Fr= 1--      -1.571                  0.783                  0.357
 Raman3 Fr= 1--      79.929                146.545                296.741
 ROA3   Fr= 1--    -377.436                297.649                294.842
 CID3   Fr= 1--      -4.722                  2.031                  0.994
 RC180  Fr= 1--       0.697                  0.342                  0.222
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01     0.00   0.00   0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.03   0.02   0.01     0.00  -0.00  -0.00     0.07  -0.04  -0.03
     8   1    -0.01   0.01   0.02     0.00  -0.00  -0.01     0.01  -0.01  -0.01
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   1     0.00  -0.00   0.02    -0.01   0.01  -0.06    -0.00   0.00  -0.01
    11   1     0.01   0.01  -0.00    -0.00  -0.00  -0.00    -0.04  -0.02   0.02
    12   6     0.00  -0.00  -0.00    -0.07   0.04   0.02     0.00  -0.00  -0.00
    13   6    -0.02  -0.02  -0.08    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03
    14   1     0.00  -0.01   0.00    -0.00   0.00  -0.00    -0.00   0.05  -0.00
    15   1     0.17  -0.14  -0.19    -0.02   0.01   0.02    -0.51   0.42   0.55
    16   1     0.19  -0.06   0.11     0.00  -0.00   0.00    -0.28   0.08  -0.16
    17   1    -0.03   0.02   0.01     0.74  -0.47  -0.35    -0.03   0.02   0.01
    18   1    -0.00   0.00   0.00     0.15   0.13   0.02    -0.01  -0.01  -0.00
    19   1    -0.00   0.00  -0.00     0.01  -0.17   0.12    -0.00   0.01  -0.00
    20   1     0.05   0.24   0.83     0.00   0.01   0.04     0.02   0.10   0.33
    21   1     0.03  -0.20   0.12     0.00  -0.01   0.01     0.01  -0.06   0.04
    22   1     0.19   0.14   0.01     0.01   0.01  -0.00     0.06   0.04   0.00
    23   1     0.03  -0.00   0.03    -0.02   0.00  -0.02    -0.02   0.00  -0.02
    24   1     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.00  -0.00   0.00
    25   1     0.01   0.01   0.02    -0.03  -0.04  -0.06    -0.00  -0.00  -0.01
    26   1     0.01  -0.00   0.03    -0.00   0.00  -0.02    -0.00  -0.00  -0.01
    27   1    -0.00   0.00   0.00     0.01  -0.00  -0.00    -0.00  -0.00   0.00
    28   1     0.00  -0.02   0.01    -0.00   0.01  -0.00    -0.00   0.01  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Molecular mass:   138.14085 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   918.032861552.462781670.45487
           X            0.99998  -0.00141   0.00537
           Y            0.00121   0.99931   0.03704
           Z           -0.00542  -0.03704   0.99930
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09435     0.05579     0.05185
 Rotational constants (GHZ):           1.96588     1.16250     1.08039
 Zero-point vibrational energy     682224.1 (Joules/Mol)
                                  163.05547 (Kcal/Mol)
 Warning -- explicit consideration of  15 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    182.69   253.70   289.52   307.98   331.33
          (Kelvin)            374.95   435.24   448.89   553.07   561.14
                              619.30   650.31   693.58   757.21   832.43
                              960.93  1132.28  1137.04  1195.74  1241.56
                             1277.97  1304.38  1340.14  1369.73  1390.32
                             1394.39  1455.01  1459.30  1478.13  1520.94
                             1547.79  1587.22  1598.09  1621.15  1698.02
                             1717.20  1766.47  1774.27  1784.40  1802.26
                             1825.09  1871.85  1903.75  1917.40  1943.48
                             1955.99  1980.31  2002.21  2020.34  2030.96
                             2046.58  2138.40  2140.71  2149.53  2156.29
                             2156.79  2165.92  2168.41  2186.07  2196.74
                             4344.92  4347.01  4350.50  4355.05  4356.43
                             4371.64  4373.48  4388.46  4395.50  4417.07
                             4418.47  4424.93  4426.73  4433.37  4440.20
                             4468.50  4489.50  4500.74
 
 Zero-point correction=                           0.259845 (Hartree/Particle)
 Thermal correction to Energy=                    0.269843
 Thermal correction to Enthalpy=                  0.270787
 Thermal correction to Gibbs Free Energy=         0.226038
 Sum of electronic and zero-point Energies=           -391.815244
 Sum of electronic and thermal Energies=              -391.805246
 Sum of electronic and thermal Enthalpies=            -391.804302
 Sum of electronic and thermal Free Energies=         -391.849052
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  169.329             41.382             94.184
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.681
 Rotational               0.889              2.981             29.255
 Vibrational            167.552             35.421             24.247
 Vibration     1          0.611              1.926              2.991
 Vibration     2          0.628              1.872              2.367
 Vibration     3          0.638              1.838              2.122
 Vibration     4          0.644              1.820              2.009
 Vibration     5          0.652              1.795              1.877
 Vibration     6          0.669              1.745              1.658
 Vibration     7          0.694              1.669              1.403
 Vibration     8          0.700              1.651              1.352
 Vibration     9          0.753              1.503              1.022
 Vibration    10          0.758              1.492              1.000
 Vibration    11          0.792              1.404              0.857
 Vibration    12          0.811              1.356              0.790
 Vibration    13          0.838              1.290              0.705
 Vibration    14          0.881              1.192              0.596
 Vibration    15          0.935              1.078              0.488
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.107151-103       -103.970005       -239.399784
 Total V=0       0.355214D+16         15.550490         35.806327
 Vib (Bot)       0.303987-117       -117.517145       -270.593226
 Vib (Bot)    1  0.160671D+01          0.205937          0.474187
 Vib (Bot)    2  0.114048D+01          0.057086          0.131445
 Vib (Bot)    3  0.990419D+00         -0.004181         -0.009627
 Vib (Bot)    4  0.926360D+00         -0.033220         -0.076492
 Vib (Bot)    5  0.855174D+00         -0.067946         -0.156451
 Vib (Bot)    6  0.745084D+00         -0.127795         -0.294258
 Vib (Bot)    7  0.627775D+00         -0.202196         -0.465573
 Vib (Bot)    8  0.605379D+00         -0.217972         -0.501900
 Vib (Bot)    9  0.468905D+00         -0.328916         -0.757356
 Vib (Bot)   10  0.460319D+00         -0.336941         -0.775835
 Vib (Bot)   11  0.404655D+00         -0.392915         -0.904721
 Vib (Bot)   12  0.378791D+00         -0.421601         -0.970772
 Vib (Bot)   13  0.346328D+00         -0.460513         -1.060370
 Vib (Bot)   14  0.304933D+00         -0.515795         -1.187662
 Vib (Bot)   15  0.263753D+00         -0.578802         -1.332742
 Vib (V=0)       0.100774D+03          2.003351          4.612885
 Vib (V=0)    1  0.218271D+01          0.338996          0.780567
 Vib (V=0)    2  0.174526D+01          0.241861          0.556906
 Vib (V=0)    3  0.160947D+01          0.206684          0.475907
 Vib (V=0)    4  0.155268D+01          0.191083          0.439985
 Vib (V=0)    5  0.149062D+01          0.173366          0.399190
 Vib (V=0)    6  0.139730D+01          0.145290          0.334543
 Vib (V=0)    7  0.130256D+01          0.114798          0.264331
 Vib (V=0)    8  0.128517D+01          0.108959          0.250887
 Vib (V=0)    9  0.118547D+01          0.073891          0.170141
 Vib (V=0)   10  0.117963D+01          0.071745          0.165199
 Vib (V=0)   11  0.114323D+01          0.058134          0.133858
 Vib (V=0)   12  0.112728D+01          0.052032          0.119809
 Vib (V=0)   13  0.110823D+01          0.044630          0.102764
 Vib (V=0)   14  0.108565D+01          0.035689          0.082178
 Vib (V=0)   15  0.106530D+01          0.027473          0.063258
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.638171D+08          7.804937         17.971532
 Rotational      0.552335D+06          5.742203         13.221910
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004039   -0.000026074    0.000013452
      2        6           0.000007966    0.000026585    0.000003598
      3        6           0.000036680    0.000008815    0.000021338
      4        6          -0.000078438    0.000028946   -0.000026848
      5        6           0.000068266   -0.000050693    0.000042459
      6        6           0.000000817   -0.000040430   -0.000004492
      7        6           0.000012142    0.000029831   -0.000009440
      8        1          -0.000000875    0.000000881    0.000001624
      9        6           0.000004673   -0.000001232   -0.000005313
     10        1          -0.000001833   -0.000010544   -0.000009475
     11        1          -0.000000232    0.000008767   -0.000002480
     12        6          -0.000001884   -0.000002111    0.000014370
     13        6          -0.000007366    0.000014509   -0.000005854
     14        1          -0.000002414   -0.000000985    0.000000003
     15        1           0.000007783   -0.000010205    0.000009792
     16        1          -0.000009209    0.000005097    0.000007028
     17        1          -0.000017976    0.000015316   -0.000026458
     18        1           0.000002135   -0.000001949   -0.000001129
     19        1           0.000003516    0.000000350    0.000000649
     20        1          -0.000006504    0.000004120   -0.000003570
     21        1           0.000001640   -0.000003894   -0.000003631
     22        1          -0.000000243   -0.000000651   -0.000001177
     23        1           0.000001415   -0.000006355   -0.000003842
     24        1           0.000001036    0.000001866    0.000002421
     25        1          -0.000015813    0.000004784   -0.000012507
     26        1           0.000001004    0.000004222   -0.000001000
     27        1          -0.000001523    0.000002167    0.000000111
     28        1          -0.000000723   -0.000001132    0.000000372
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000078438 RMS     0.000017681
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.129188D+03 -0.775621D-01  0.723398D+00
      2  -0.775621D-01  0.115546D+03 -0.187347D+00
      3   0.723398D+00 -0.187347D+00  0.111293D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.227268D+01  0.105163D+01  0.250952D+01
      2   0.332649D+01 -0.963955D+00  0.598212D+01
      3   0.407269D+01  0.270622D+01 -0.138838D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.457701D+01 -0.196179D+02  0.118470D+02
      2  -0.640211D+01  0.917041D+01 -0.373101D+01
      3   0.109791D+02  0.104475D+02 -0.811601D+01
      4  -0.273345D+02 -0.950089D+01  0.254779D+01
      5   0.186551D+02  0.141272D+01  0.162522D+02
      6   0.827352D+00  0.452512D+01 -0.399208D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.103914D+01 -0.294934D+01  0.116640D+01 -0.329639D+01  0.125241D+00
      2  -0.294934D+01 -0.624361D+00  0.135491D+01  0.125241D+00  0.335298D+01
      3   0.116640D+01  0.135491D+01  0.294903D+01  0.182671D+01 -0.140146D+01
                 6             7             8             9            10 
      1   0.182671D+01  0.803046D+00  0.214533D+01  0.448060D+01 -0.102275D+00
      2  -0.140146D+01  0.214533D+01 -0.233426D+01 -0.226670D+01  0.383294D+01
      3  -0.161684D+01  0.448060D+01 -0.226670D+01 -0.479794D+00  0.166783D+01
                11            12            13            14            15 
      1   0.383294D+01  0.166783D+01  0.482506D+01  0.783117D+00  0.983892D-01
      2   0.166597D+01 -0.256457D+00  0.783117D+00 -0.544514D+01  0.686762D+00
      3  -0.256457D+00 -0.209171D+01  0.983892D-01  0.686762D+00  0.124491D+01
                16            17            18            19            20 
      1   0.279786D+01 -0.499724D-01 -0.254534D+01  0.969859D+00  0.183936D+01
      2  -0.499724D-01  0.175264D+01  0.138991D+01  0.183936D+01  0.729710D+00
      3  -0.254534D+01  0.138991D+01 -0.655195D+01 -0.792291D+00 -0.353143D+01
                21            22            23            24            25 
      1  -0.792291D+00  0.240671D+01  0.583073D+00 -0.338680D+01 -0.650250D+00
      2  -0.353143D+01  0.583073D+00 -0.415949D+01  0.166843D+01 -0.412716D+01
      3  -0.723958D+00 -0.338680D+01  0.166843D+01 -0.267028D+01 -0.880861D+00
                26            27            28            29            30 
      1  -0.412716D+01 -0.880861D+00 -0.297947D+01 -0.257359D+01  0.891671D+00
      2   0.232509D+01 -0.432069D+01 -0.257359D+01 -0.216882D+01  0.488166D+01
      3  -0.432069D+01 -0.366200D+00  0.891671D+00  0.488166D+01 -0.153442D+01
                31            32            33            34            35 
      1  -0.270706D+01 -0.177318D+01  0.495431D+01  0.829832D+00  0.559669D+01
      2  -0.177318D+01  0.172808D+01  0.547269D+00  0.559669D+01 -0.841671D+00
      3   0.495431D+01  0.547269D+00  0.283850D+01 -0.164433D+01  0.235088D+01
                36            37            38            39            40 
      1  -0.164433D+01  0.524140D+01  0.513265D+01  0.336976D+01  0.611773D+01
      2   0.235088D+01  0.513265D+01  0.176882D+01 -0.166830D+01  0.274771D+01
      3  -0.833067D+00  0.336976D+01 -0.166830D+01  0.740682D+00 -0.237767D+01
                41            42            43            44            45 
      1   0.274771D+01 -0.237767D+01  0.466190D+01 -0.214994D+01  0.182154D+00
      2  -0.341895D+01  0.325574D+01 -0.214994D+01  0.470293D+01 -0.290850D+01
      3   0.325574D+01 -0.273425D+01  0.182154D+00 -0.290850D+01 -0.214167D+01
                46            47            48            49            50 
      1  -0.408422D+01 -0.346839D+01 -0.301334D+01 -0.427774D+01 -0.244441D+00
      2  -0.346839D+01 -0.504793D+00 -0.138007D+00 -0.244441D+00  0.895807D+01
      3  -0.301334D+01 -0.138007D+00 -0.133483D+01 -0.779881D-01 -0.887024D+00
                51            52            53            54            55 
      1  -0.779881D-01 -0.579535D+01 -0.452394D+00 -0.141819D+00  0.178482D+01
      2  -0.887024D+00 -0.452394D+00 -0.730802D+00 -0.214048D+01 -0.284491D+00
      3  -0.276327D+01 -0.141819D+00 -0.214048D+01  0.395368D+01  0.365107D+01
                56            57            58            59            60 
      1  -0.284491D+00  0.365107D+01 -0.633713D+00 -0.192283D+01 -0.346733D+01
      2  -0.180248D+01 -0.363607D+01 -0.192283D+01 -0.154657D+01 -0.172180D+01
      3  -0.363607D+01  0.690760D+00 -0.346733D+01 -0.172180D+01  0.252707D+01
                61            62            63            64            65 
      1   0.289115D+01 -0.269265D+01  0.611351D+00 -0.308984D+01  0.183892D+01
      2  -0.269265D+01 -0.154543D+01  0.214248D+01  0.183892D+01 -0.128084D+01
      3   0.611351D+00  0.214248D+01 -0.538597D+00  0.186291D+01 -0.110945D+01
                66            67            68            69            70 
      1   0.186291D+01  0.182159D+01 -0.171790D+01 -0.126940D+01  0.306928D+01
      2  -0.110945D+01 -0.171790D+01  0.245714D+01  0.200314D+01 -0.185965D+01
      3  -0.193202D+01 -0.126940D+01  0.200314D+01  0.174902D+01 -0.321610D+01
                71            72            73            74            75 
      1  -0.185965D+01 -0.321610D+01  0.184143D+01 -0.407097D+01 -0.303555D+01
      2   0.277594D+01  0.253773D+01 -0.407097D+01 -0.197472D+01  0.687178D+00
      3   0.253773D+01  0.439955D+01 -0.303555D+01  0.687178D+00  0.247711D+01
                76            77            78            79            80 
      1  -0.578242D+01 -0.418720D+00  0.562627D+00 -0.391326D+01  0.247657D+00
      2  -0.418720D+00  0.658316D+01 -0.214452D+01  0.247657D+00 -0.242419D+01
      3   0.562627D+00 -0.214452D+01 -0.616235D+00  0.328359D+01  0.656991D-02
                81            82            83            84            85 
      1   0.328359D+01  0.552449D+00 -0.635904D+00  0.101424D+01 -0.913718D+00
      2   0.656991D-02 -0.635904D+00 -0.121187D+00 -0.296033D-01 -0.195711D+00
      3   0.507090D+01  0.101424D+01 -0.296033D-01  0.595600D+00  0.833602D-01
                86            87            88            89            90 
      1  -0.195711D+00  0.833602D-01  0.182147D+01  0.277349D+00  0.479935D+00
      2  -0.326392D+00  0.117243D+01  0.277349D+00  0.111680D+01 -0.130431D+01
      3   0.117243D+01 -0.120260D+01  0.479935D+00 -0.130431D+01  0.816102D+01
                91            92            93            94            95 
      1   0.610889D+01  0.323885D+01 -0.265198D+01  0.253834D+01  0.234702D+01
      2   0.323885D+01  0.299292D+01 -0.203089D+01  0.234702D+01  0.362675D+01
      3  -0.265198D+01 -0.203089D+01  0.233471D+01 -0.169299D+01 -0.170591D+01
                96            97            98            99           100 
      1  -0.169299D+01 -0.205135D+01 -0.169735D+01  0.231371D+01 -0.198854D+01
      2  -0.170591D+01 -0.169735D+01 -0.148571D+01  0.164869D+01 -0.488830D+01
      3   0.128680D+01  0.231371D+01  0.164869D+01 -0.259588D+01 -0.336924D+01
               101           102           103           104           105 
      1  -0.488830D+01 -0.336924D+01 -0.522318D+01 -0.194417D+01  0.124543D+01
      2  -0.130566D+01  0.970891D+00 -0.194417D+01  0.126523D+01 -0.422574D+01
      3   0.970891D+00  0.513043D+00  0.124543D+01 -0.422574D+01  0.312536D+01
               106           107           108           109           110 
      1  -0.294023D+01  0.142462D+01  0.511480D+00 -0.244445D+01 -0.467741D+01
      2   0.142462D+01 -0.336751D+01  0.274056D+01 -0.467741D+01 -0.976134D+00
      3   0.511480D+00  0.274056D+01  0.155869D+01 -0.216808D+01  0.129273D+01
               111           112           113           114           115 
      1  -0.216808D+01 -0.578505D+01 -0.269972D+01  0.166279D+01 -0.252476D+01
      2   0.129273D+01 -0.269972D+01  0.338504D+01 -0.273647D+01  0.143108D+01
      3   0.379053D+00  0.166279D+01 -0.273647D+01  0.284756D+01 -0.545687D+00
               116           117           118           119           120 
      1   0.143108D+01 -0.545687D+00  0.101651D+00 -0.116538D+01  0.485779D+00
      2  -0.325310D+01  0.344714D+01 -0.116538D+01  0.555494D+00 -0.119888D+00
      3   0.344714D+01  0.433251D+01  0.485779D+00 -0.119888D+00  0.127054D+00
               121           122           123           124           125 
      1  -0.152167D+01 -0.320045D+00  0.116913D+00  0.786383D+00  0.900402D-01
      2  -0.320045D+00 -0.111892D+02  0.117956D+00  0.900402D-01  0.337365D+00
      3   0.116913D+00  0.117956D+00 -0.827983D+00 -0.940670D-01 -0.118355D+01
               126           127           128           129           130 
      1  -0.940670D-01  0.223777D+01 -0.105463D+01 -0.212584D+01 -0.112062D+01
      2  -0.118355D+01 -0.105463D+01  0.128514D+01  0.128264D+01  0.111777D+01
      3  -0.768568D-01 -0.212584D+01  0.128264D+01  0.273442D+01  0.122399D+01
               131           132           133           134           135 
      1   0.111777D+01  0.122399D+01 -0.174528D+01  0.958642D+00  0.213054D+01
      2  -0.182444D+01 -0.179365D+01  0.958642D+00 -0.152461D+01 -0.234823D+01
      3  -0.179365D+01 -0.281507D+01  0.213054D+01 -0.234823D+01 -0.608433D+01
               136           137           138           139           140 
      1  -0.493052D+01  0.455191D+00 -0.333078D+01  0.102323D+01 -0.718016D+00
      2   0.455191D+00 -0.801503D+00  0.692148D+00 -0.718016D+00  0.718347D+00
      3  -0.333078D+01  0.692148D+00 -0.366202D+01  0.997922D+00 -0.821157D+00
               141           142           143           144           145 
      1   0.997922D+00 -0.244957D+01  0.478699D+00 -0.247261D+01 -0.354261D+01
      2  -0.821157D+00  0.478699D+00 -0.497349D+00  0.200607D+00  0.186334D+01
      3   0.936702D+00 -0.247261D+01  0.200607D+00 -0.423551D+01  0.126942D+01
               146           147           148           149           150 
      1   0.186334D+01  0.126942D+01  0.207882D+01 -0.100761D+01 -0.655370D+00
      2  -0.132615D+01 -0.957553D+00 -0.100761D+01  0.168130D+01  0.153154D+01
      3  -0.957553D+00 -0.246414D+01 -0.655370D+00  0.153154D+01  0.135675D+01
               151           152           153           154           155 
      1   0.133034D+01 -0.758030D+00 -0.141861D+01  0.659411D+01  0.303170D+01
      2  -0.758030D+00  0.126443D+01  0.928862D+00  0.303170D+01  0.229820D+01
      3  -0.141861D+01  0.928862D+00  0.222515D+01  0.270967D+01  0.105556D+01
               156           157           158           159           160 
      1   0.270967D+01  0.362138D+01  0.259830D+01  0.126473D+01  0.989186D+00
      2   0.105556D+01  0.259830D+01  0.256077D+01  0.166577D+01  0.348204D+00
      3   0.231838D+01  0.126473D+01  0.166577D+01  0.120881D+01  0.130809D+01
               161           162           163           164           165 
      1   0.348204D+00  0.130809D+01  0.114076D+01 -0.418778D+00  0.141920D+01
      2   0.653130D+00  0.582024D+00 -0.418778D+00  0.665962D+00 -0.464127D+00
      3   0.582024D+00  0.917853D+00  0.141920D+01 -0.464127D+00  0.793317D+00
               166           167           168           169           170 
      1  -0.113743D+01  0.132700D+01 -0.137856D+01  0.120649D+01 -0.733536D+00
      2   0.132700D+01 -0.417489D+01  0.332974D+01 -0.733536D+00  0.216516D+01
      3  -0.137856D+01  0.332974D+01 -0.459969D+01  0.118563D+01 -0.268676D+01
               171           172           173           174           175 
      1   0.118563D+01  0.198354D+00  0.172551D+00 -0.924908D+00  0.330336D-01
      2  -0.268676D+01  0.172551D+00  0.812131D-01  0.145826D+00  0.767181D+00
      3   0.468962D+01 -0.924908D+00  0.145826D+00  0.378192D+00  0.307735D+00
               176           177           178           179           180 
      1   0.767181D+00  0.307735D+00 -0.210624D+01  0.792027D+00  0.131972D+01
      2  -0.164013D+01 -0.119620D+01  0.792027D+00 -0.150885D+01 -0.224917D+01
      3  -0.119620D+01 -0.188461D+01  0.131972D+01 -0.224917D+01 -0.648479D+01
               181           182           183           184           185 
      1   0.165238D+01 -0.966614D+00  0.849116D+00 -0.210350D+01  0.307306D+01
      2  -0.966614D+00  0.100298D+01 -0.513611D+00  0.307306D+01 -0.661407D+01
      3   0.849116D+00 -0.513611D+00  0.261705D+00 -0.981336D+00  0.231615D+01
               186           187           188           189           190 
      1  -0.981336D+00  0.214706D+01 -0.158500D+01  0.110892D+01  0.921933D+01
      2   0.231615D+01 -0.158500D+01  0.317833D+01 -0.220221D+01  0.208664D+01
      3  -0.198946D+01  0.110892D+01 -0.220221D+01  0.175831D+01  0.340039D+00
               191           192           193           194           195 
      1   0.208664D+01  0.340039D+00  0.517476D+01  0.214599D+01 -0.136697D+00
      2   0.153392D+01  0.206756D-01  0.214599D+01  0.154042D+01  0.370767D+00
      3   0.206756D-01  0.814497D+00 -0.136697D+00  0.370767D+00  0.511692D+00
               196           197           198           199           200 
      1   0.103880D+01 -0.756693D-01  0.123039D+01 -0.476172D+01  0.107386D+01
      2  -0.756693D-01  0.515430D+00  0.558036D-01  0.107386D+01 -0.114060D+01
      3   0.123039D+01  0.558036D-01 -0.950584D-01 -0.221831D+01  0.382374D+00
               201           202           203           204           205 
      1  -0.221831D+01  0.728263D+00 -0.909923D+00  0.133935D+00 -0.346229D+01
      2   0.382374D+00 -0.909923D+00  0.174911D+00 -0.526562D+00  0.319538D+00
      3  -0.175914D+01  0.133935D+00 -0.526562D+00  0.429426D+00 -0.227747D+01
               206           207           208           209           210 
      1   0.319538D+00 -0.227747D+01 -0.126547D+01  0.138921D+01 -0.731285D+00
      2  -0.130008D+01  0.937505D+00  0.138921D+01 -0.181300D+01  0.108585D+01
      3   0.937505D+00 -0.252259D+01 -0.731285D+00  0.108585D+01 -0.459101D+00
               211           212           213           214           215 
      1   0.980898D+00 -0.143198D+01  0.788630D+00 -0.113573D+01  0.137342D+01
      2  -0.143198D+01  0.803206D+01 -0.326227D+01  0.137342D+01 -0.504235D+01
      3   0.788630D+00 -0.326227D+01  0.225942D+01 -0.566504D+00  0.368580D+01
               216           217           218           219           220 
      1  -0.566504D+00  0.174828D+01  0.987416D+00  0.122468D+01  0.740877D+00
      2   0.368580D+01  0.987416D+00  0.190056D+01  0.124782D+01  0.115658D+01
      3  -0.318548D+01  0.122468D+01  0.124782D+01  0.126386D+01  0.864869D+00
               221           222           223           224           225 
      1   0.115658D+01  0.864869D+00  0.162686D+01  0.123293D+01  0.132387D+01
      2   0.444255D+01  0.192816D+01  0.123293D+01  0.316164D+01  0.286601D+01
      3   0.192816D+01  0.188213D+01  0.132387D+01  0.286601D+01  0.348526D+01
               226           227           228           229           230 
      1  -0.162200D+01  0.143721D+00 -0.100407D+01  0.705914D+00 -0.355838D+00
      2   0.143721D+00 -0.720360D-01 -0.237397D+00 -0.355838D+00 -0.755904D+00
      3  -0.100407D+01 -0.237397D+00 -0.140365D+01 -0.116157D+00 -0.659953D+00
               231           232           233           234           235 
      1  -0.116157D+00 -0.259737D+01 -0.877599D+00 -0.233393D+01 -0.931413D+01
      2  -0.659953D+00 -0.877599D+00 -0.133219D+01 -0.687254D+00  0.726614D+00
      3   0.121151D-01 -0.233393D+01 -0.687254D+00 -0.641011D+01  0.294086D+01
               236           237           238           239           240 
      1   0.726614D+00  0.294086D+01  0.334617D+01 -0.110790D+01 -0.862238D+00
      2  -0.102040D+01 -0.330791D+00 -0.110790D+01  0.330627D+00  0.766291D+00
      3  -0.330791D+00 -0.192238D+01 -0.862238D+00  0.766291D+00  0.798609D+00
               241           242           243           244           245 
      1   0.424480D+01 -0.945479D-01 -0.265838D+01 -0.305390D+00 -0.659167D+00
      2  -0.945479D-01  0.109191D+01  0.239759D+00 -0.659167D+00  0.451794D+00
      3  -0.265838D+01  0.239759D+00  0.154765D+01  0.503029D+00 -0.766877D-01
               246           247           248           249           250 
      1   0.503029D+00 -0.164024D+01 -0.200404D+01  0.270192D+00  0.112723D+01
      2  -0.766877D-01 -0.200404D+01 -0.974222D+01  0.172257D+01  0.437276D+00
      3  -0.840470D-01  0.270192D+00  0.172257D+01 -0.129458D+01 -0.674282D+00
               251           252 
      1   0.437276D+00 -0.674282D+00
      2   0.214730D+01 -0.146249D+01
      3  -0.146249D+01  0.501675D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.499310D+01 -0.358168D+01 -0.382430D+01 -0.403071D+01  0.672538D+01
      2  -0.355239D+01 -0.234435D+01 -0.646990D+01 -0.272132D+01  0.319766D+01
      3  -0.795685D+01 -0.105394D+02  0.642924D+01 -0.329596D+01  0.729679D+01
                 6             7             8             9            10 
      1   0.754462D+00 -0.484727D+01  0.594906D+01 -0.330875D+00  0.466610D+01
      2   0.409594D+01 -0.151917D+02  0.517383D+01  0.965490D-01 -0.389888D+01
      3  -0.109627D+00  0.779216D+01 -0.839729D+00  0.760549D+00  0.869763D+01
                11            12            13            14            15 
      1   0.240336D+01 -0.149494D+01  0.195834D+01 -0.392339D+01 -0.100040D+01
      2  -0.130769D+01  0.486053D+01 -0.178993D+01 -0.278203D+01 -0.204621D+01
      3  -0.452696D+01 -0.266784D+01  0.306180D+01 -0.118426D+02  0.172886D+01
                16            17            18            19            20 
      1  -0.687500D+00  0.655169D+01 -0.487385D+01  0.215589D+01  0.109072D+02
      2   0.259791D+00 -0.248443D+01  0.152771D+02 -0.206919D+01  0.143471D+01
      3  -0.297592D+01  0.326367D+01  0.230942D+01  0.349268D+01  0.444874D+01
                21            22            23            24            25 
      1   0.295564D+01  0.104646D+02 -0.355683D+01  0.574040D+01  0.439955D+01
      2   0.224068D+01  0.156601D+01 -0.274044D-01 -0.498121D+00 -0.228400D+01
      3  -0.264650D+01  0.116452D+02  0.714996D-01 -0.853566D+01 -0.320813D+01
                26            27            28            29            30 
      1   0.147621D+02  0.358923D+01  0.958112D+00 -0.796207D+01 -0.522489D+01
      2  -0.142441D+01  0.151694D+01 -0.379544D+00  0.397168D+01  0.175215D+01
      3  -0.972494D+01 -0.285497D+01  0.181268D+01 -0.574744D+01 -0.191672D+01
                31            32            33            34            35 
      1  -0.751158D+01 -0.266008D+01 -0.815417D+01 -0.369044D+01 -0.107013D+01
      2   0.357584D+01  0.173279D+00  0.878525D+01 -0.515090D+01  0.105956D+02
      3   0.975730D+00 -0.409385D+01  0.655537D+01 -0.428806D+01  0.813819D+01
                36            37            38            39            40 
      1  -0.302059D+01  0.491866D+01  0.629074D+00 -0.562169D-01  0.228903D+01
      2  -0.186927D+01  0.494749D+01 -0.460579D+01  0.413976D+01 -0.649106D+01
      3  -0.392859D+01 -0.126181D+02 -0.113289D+02  0.160943D+01 -0.317804D+01
                41            42            43            44            45 
      1   0.653987D+00 -0.414364D+01 -0.991838D+00  0.515788D+01 -0.382109D+01
      2   0.716082D+01 -0.690894D+01 -0.716662D+01 -0.698583D+01 -0.622990D+01
      3   0.446197D+01 -0.574383D+01  0.126615D+01 -0.908369D+01  0.702444D+01
                46            47            48            49            50 
      1  -0.621507D+01 -0.833645D+00 -0.111795D+01  0.177358D+00 -0.122551D+00
      2  -0.153911D+01 -0.115027D+01  0.945419D+00 -0.687290D-01  0.290718D+00
      3   0.477771D+01  0.265712D+01  0.348690D+01  0.114530D+02  0.346760D+01
                51            52            53            54            55 
      1  -0.795503D+01 -0.295683D+01 -0.184685D+01  0.959781D+01  0.301989D+01
      2   0.248945D+01 -0.580977D+01 -0.138167D+00 -0.263816D+01  0.546855D+01
      3   0.510033D+00  0.676652D+01  0.370145D+00 -0.872556D+00 -0.612799D+00
                56            57            58            59            60 
      1   0.596645D+01  0.103987D+02  0.251796D+01  0.287591D+01  0.507092D+01
      2  -0.254534D+01  0.141925D+02 -0.268135D+01 -0.718704D+01 -0.110679D+02
      3  -0.180379D+01 -0.258207D+01  0.313901D+01  0.114029D+01  0.151666D+01
                61            62            63            64            65 
      1   0.887719D+01  0.878834D+01 -0.778885D+01 -0.189384D+01  0.348582D+00
      2   0.522407D+01 -0.773021D+01  0.827683D+00 -0.194687D+01  0.163069D+01
      3  -0.144188D+01  0.138974D+01  0.207227D+00 -0.132835D+01 -0.171187D+01
                66            67            68            69            70 
      1   0.309637D+01  0.145501D+01 -0.117756D+01 -0.311077D+01  0.399117D+01
      2   0.489820D+01  0.129994D+01 -0.366495D+01 -0.391964D+01  0.316970D+01
      3   0.319324D+00  0.166349D+01  0.271126D+01  0.160259D+01  0.170183D+01
                71            72            73            74            75 
      1   0.470229D-01 -0.619666D+01 -0.628482D+01 -0.576375D+00  0.393120D+01
      2  -0.432957D+01 -0.861605D+01  0.107913D+02 -0.139723D+00 -0.553879D+01
      3   0.443742D+01  0.197249D+00 -0.176894D+02 -0.168249D+01  0.665075D+01
                76            77            78            79            80 
      1  -0.126094D-01 -0.295789D+01 -0.261649D+01  0.580621D+01  0.187976D+01
      2  -0.154964D+00  0.717459D+01  0.135058D+01 -0.134746D+02 -0.153276D+01
      3   0.106798D+02  0.237262D+02 -0.839856D+01  0.641834D+01 -0.776468D+01
                81            82            83            84            85 
      1   0.779842D+01  0.373497D+00 -0.203137D+00  0.599847D+00 -0.117351D+00
      2  -0.178639D+02 -0.331989D+01  0.243586D+00 -0.146995D+01  0.678397D+00
      3  -0.463169D+01 -0.215440D+01 -0.261847D+00 -0.516442D+00  0.234239D+01
                86            87            88            89            90 
      1   0.480918D+00 -0.697003D+00  0.966832D+00  0.294819D+01  0.476780D+01
      2  -0.174284D+01  0.170240D+01 -0.657638D+01  0.156482D+01 -0.149260D+02
      3   0.453651D+00  0.207954D+01 -0.135898D+01  0.192326D+01 -0.162225D+01
                91            92            93            94            95 
      1  -0.369538D+00 -0.163035D+01 -0.193327D+01 -0.576553D+00 -0.275931D+01
      2   0.444381D+01  0.103966D+01  0.240813D+01  0.180652D+01  0.775024D+00
      3   0.574408D+01 -0.226882D+01 -0.103931D+01  0.318061D+01 -0.178656D+01
                96            97            98            99           100 
      1  -0.162094D+01 -0.116098D+01  0.172615D+01  0.260452D+01 -0.102659D+02
      2   0.814985D+00 -0.168411D+01 -0.402068D+00 -0.147650D+01 -0.196044D+01
      3  -0.351331D+00 -0.198328D+01  0.140194D+00  0.129930D+01  0.880488D+01
               101           102           103           104           105 
      1  -0.245628D+01  0.206251D+01 -0.548576D+01  0.268929D+01 -0.138810D+02
      2   0.124356D+02  0.124453D+02  0.141327D+02 -0.436723D+01  0.326288D+01
      3  -0.533293D+00 -0.285883D+01  0.490669D+01 -0.254199D+01  0.837838D+01
               106           107           108           109           110 
      1   0.367959D+01 -0.632586D+01  0.642971D+01 -0.822555D+00  0.183818D+01
      2   0.603484D+01  0.191174D+01  0.119034D+01 -0.705629D+01  0.266227D+01
      3  -0.362735D+01  0.662693D+01 -0.491631D+01  0.187336D+02  0.844822D+01
               111           112           113           114           115 
      1  -0.338220D+00  0.264155D+01 -0.458058D+01  0.299163D+01 -0.248218D+01
      2   0.184223D+01  0.240216D+01 -0.892960D+01  0.108895D+02 -0.688722D+01
      3  -0.190155D+01  0.178224D+02 -0.907078D+01  0.647260D+01 -0.150611D+01
               116           117           118           119           120 
      1   0.804148D+01  0.567288D+01  0.120482D+01 -0.148288D+00 -0.307613D-01
      2   0.127840D+02  0.160010D+02 -0.438500D+00 -0.213296D+00  0.111083D+01
      3   0.713789D+01 -0.106893D+02 -0.100569D+00  0.380869D-01 -0.528152D+00
               121           122           123           124           125 
      1   0.331272D+00  0.272715D+01 -0.564740D+01  0.165074D+00 -0.536638D+00
      2  -0.296394D-01 -0.643971D+00  0.295444D+00 -0.149006D+01  0.208414D+00
      3   0.712154D+01 -0.133334D+01 -0.101086D+00 -0.136547D+01 -0.204714D+00
               126           127           128           129           130 
      1   0.436109D-01  0.213756D+01 -0.414880D+01 -0.192900D+01 -0.276578D+01
      2   0.124399D-01  0.745764D+01 -0.280693D+01 -0.338982D+01 -0.386642D+01
      3  -0.289057D-01 -0.165951D+01 -0.579805D+00  0.843011D+00  0.234680D+01
               131           132           133           134           135 
      1   0.442232D+01  0.112645D+01 -0.183168D+01  0.431931D+01  0.280048D+01
      2   0.271359D+01  0.259495D+01 -0.643799D+01  0.242835D+01  0.297056D+01
      3  -0.100782D+00 -0.212682D+00  0.138514D+01  0.517515D+00 -0.669755D+00
               136           137           138           139           140 
      1  -0.212121D+01  0.421866D+01 -0.265137D+01  0.203853D+01 -0.253213D+01
      2  -0.150245D+02  0.130943D+01 -0.523107D+01  0.341964D+01 -0.159768D+01
      3   0.136224D+01 -0.271729D+01  0.128673D+01  0.541757D+00  0.641274D+00
               141           142           143           144           145 
      1   0.315091D+00 -0.157270D+01  0.291811D+01 -0.113774D+01  0.444741D+01
      2   0.206260D+01 -0.763265D+01  0.802947D+00 -0.429631D+01  0.139860D+02
      3  -0.349647D+00  0.330457D+00 -0.181184D+01  0.941740D+00 -0.544584D+01
               146           147           148           149           150 
      1  -0.452731D+01 -0.487211D+00 -0.341550D+01  0.463709D+01  0.131329D+01
      2  -0.630712D+01 -0.489642D+01 -0.721771D+01  0.509419D+01  0.283044D+01
      3   0.172406D+01  0.168062D+01  0.434948D+01 -0.269440D+01 -0.230583D+01
               151           152           153           154           155 
      1  -0.137743D+01  0.361933D+01  0.886462D+00  0.625535D+01  0.563413D+01
      2  -0.743104D+01  0.345716D+01  0.544186D+01 -0.913448D+01 -0.429267D+01
      3   0.224860D+01 -0.131123D+01 -0.188952D+01 -0.246163D+01 -0.561537D+01
               156           157           158           159           160 
      1   0.612963D+00  0.502534D+01  0.547190D+01  0.144921D+01  0.603145D+00
      2   0.154987D+01 -0.615890D+01 -0.214432D+01  0.762190D+00 -0.161463D+01
      3  -0.144917D+01 -0.159221D+01 -0.490710D+01 -0.241232D+01 -0.196403D-01
               161           162           163           164           165 
      1   0.229146D+01  0.937804D+00 -0.853161D+00  0.198226D+01 -0.968063D+00
      2  -0.345322D+00 -0.101222D+01  0.423643D+00 -0.100364D+00 -0.275024D+00
      3  -0.117870D+01 -0.443952D+00  0.622477D+00 -0.191299D+01  0.102060D+01
               166           167           168           169           170 
      1   0.291273D+01 -0.109846D+02  0.512640D+01 -0.195545D+01  0.761612D+01
      2   0.143659D+01  0.340704D+01 -0.612211D+01 -0.260586D+01 -0.288231D+01
      3  -0.874622D-01  0.738052D+01 -0.556110D+01  0.498593D+00 -0.428643D+01
               171           172           173           174           175 
      1  -0.593271D+01 -0.168598D+01  0.641138D-01 -0.950974D-01  0.591934D-03
      2   0.566093D+01 -0.333367D+01  0.860227D+00  0.309807D+00  0.435778D+00
      3   0.466528D+01 -0.468692D-01 -0.107588D+01  0.785238D+00 -0.768759D+00
               176           177           178           179           180 
      1   0.865062D-01 -0.305611D+01  0.297947D+00  0.381643D+00 -0.843270D+01
      2  -0.297352D+01 -0.586835D+01 -0.158157D+01 -0.603178D+01 -0.208494D+02
      3   0.360344D+01  0.303916D+01  0.139524D+01  0.412788D+01  0.587477D+01
               181           182           183           184           185 
      1   0.133047D+01 -0.962349D+00  0.843927D+00 -0.182582D+01  0.382634D+01
      2   0.284089D+01 -0.195990D+01  0.213228D+01 -0.242089D+01  0.775406D+01
      3   0.129352D+01 -0.369067D+01  0.623376D+00 -0.391335D+01  0.168424D+02
               186           187           188           189           190 
      1  -0.594002D+01  0.126113D+01 -0.211414D+01  0.390532D+01 -0.365734D+00
      2  -0.730832D+01  0.182634D+01 -0.642267D+01  0.557311D+01  0.326552D+01
      3  -0.587262D+01  0.763156D+00 -0.827197D+01  0.543829D+01 -0.159907D+02
               191           192           193           194           195 
      1  -0.398758D+00  0.255072D+00 -0.619150D+00 -0.132863D+00 -0.104362D+01
      2   0.104170D+01  0.558671D+01  0.928124D+00  0.185344D+01  0.270694D+01
      3  -0.101504D+02 -0.498127D+00 -0.955856D+01 -0.839914D+01 -0.118210D+01
               196           197           198           199           200 
      1   0.103834D+01  0.437361D+00 -0.290043D+00  0.379213D+01  0.302747D+00
      2   0.246911D+01  0.370806D-01  0.297423D-01  0.521888D+01 -0.961959D+00
      3  -0.528960D+00 -0.182888D+01 -0.119755D+01 -0.497996D+01 -0.319731D+01
               201           202           203           204           205 
      1   0.312033D+01 -0.153840D+00  0.518775D+00 -0.168173D+01  0.313907D+01
      2   0.665803D+01 -0.259789D+00  0.145987D+01 -0.110879D+01  0.412877D+01
      3  -0.260332D+01  0.368858D+00 -0.170979D+01 -0.833182D+00 -0.484992D+01
               206           207           208           209           210 
      1  -0.560843D-01  0.476656D+01  0.117066D+01 -0.257759D+01  0.150609D+01
      2  -0.195795D+01  0.767554D+01 -0.747900D+00  0.277954D+00  0.113892D+01
      3  -0.357960D+01 -0.146783D+01 -0.340567D+01  0.101844D+01 -0.140248D+01
               211           212           213           214           215 
      1  -0.157739D+01  0.493946D+01 -0.735074D+01  0.357736D+00 -0.533779D+01
      2   0.109766D+01  0.193558D+00 -0.898034D+00 -0.197197D+01 -0.170924D+00
      3   0.448411D+01 -0.821943D+00  0.908010D+00 -0.409772D+01  0.142387D+01
               216           217           218           219           220 
      1   0.784348D+01 -0.371131D+01 -0.312871D+01 -0.468014D+01 -0.245493D+01
      2   0.695159D+00 -0.620498D-03 -0.285028D+00  0.847138D+00 -0.942195D+00
      3   0.303767D-01  0.572064D+01  0.683783D+00  0.359483D+01  0.351029D+01
               221           222           223           224           225 
      1  -0.491448D+01 -0.669310D+01 -0.425755D+01 -0.583914D+01 -0.118132D+02
      2  -0.632675D+00  0.337368D+00 -0.220962D+01 -0.336625D+00 -0.930587D+00
      3   0.290798D+01  0.271818D+01  0.637228D+01  0.341586D+01  0.377938D+01
               226           227           228           229           230 
      1  -0.157120D+01  0.189743D+00 -0.219362D+01 -0.224151D+00 -0.881920D+00
      2   0.297701D+01  0.754878D+00  0.510233D+01  0.521385D+00  0.190986D+01
      3   0.235159D+01 -0.124512D+01  0.706893D+00 -0.673976D+00 -0.142738D+01
               231           232           233           234           235 
      1  -0.838285D+00 -0.296673D+01  0.187952D+01 -0.103602D+02  0.409777D+01
      2  -0.290553D+00  0.401726D+01  0.157048D+01  0.224021D+02 -0.542216D+01
      3  -0.160810D+01  0.120465D+01 -0.381704D+01  0.150798D+01  0.151454D+02
               236           237           238           239           240 
      1  -0.152374D+01 -0.245550D+01 -0.122962D+01  0.148107D+01  0.544066D+00
      2   0.100497D+01  0.805021D+01  0.121295D+01 -0.203563D+01 -0.301917D+01
      3  -0.729716D+01 -0.533789D+01 -0.618874D+01  0.327653D+01  0.347651D+01
               241           242           243           244           245 
      1  -0.308775D+01  0.211874D+01  0.164607D+01  0.625114D+00  0.174572D+00
      2   0.503626D+01 -0.936775D+00 -0.422132D+01 -0.163693D+01  0.254553D+00
      3  -0.585659D+01  0.475603D+01  0.418276D+01 -0.206916D+01  0.109185D+01
               246           247           248           249           250 
      1   0.979265D-01 -0.170847D+00 -0.253470D+00 -0.464607D+01 -0.755889D+00
      2   0.704622D+00  0.289255D+00 -0.442880D+01  0.407520D+01  0.448379D+00
      3  -0.991155D+00  0.250226D+00 -0.272949D+02  0.495919D+01 -0.103510D+01
               251           252 
      1  -0.530104D+00  0.610989D+00
      2   0.362056D+01 -0.808880D+00
      3   0.603485D+01 -0.300558D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.402996D+01  0.934595D+01 -0.116387D+02  0.717503D+01 -0.192617D+01
      2   0.218329D+01 -0.660903D+01  0.650934D+01 -0.519632D+01  0.478201D+01
      3   0.184667D+01 -0.273692D+01  0.512932D+01 -0.197871D+01 -0.285584D+01
      4   0.143771D+02 -0.500575D+01  0.199308D-01 -0.869891D+01 -0.105967D+02
      5  -0.315398D+01 -0.528162D+01 -0.147911D+02 -0.696476D+01  0.541249D+01
      6   0.347392D+00  0.702908D+01  0.882038D+01  0.764778D+01 -0.597857D+01
                 6             7             8             9            10 
      1  -0.208835D-01 -0.148240D+02 -0.144665D+01 -0.133018D+02 -0.243765D+01
      2  -0.122080D+01  0.995506D+01  0.197780D+01  0.706712D+01 -0.164282D+01
      3   0.124169D+01  0.486889D+01 -0.531148D+00  0.623471D+01  0.408047D+01
      4   0.854223D+01 -0.122367D+01  0.124414D+02  0.197723D+02 -0.204236D+02
      5   0.803995D+01 -0.221685D+02  0.134387D+02  0.427846D+01 -0.475985D+01
      6  -0.658581D+01  0.143829D+02 -0.791559D+01 -0.738748D+01 -0.908613D+00
                11            12            13            14            15 
      1  -0.122853D+02 -0.360357D+01 -0.164192D+02 -0.774467D+01 -0.206550D+01
      2   0.211559D+01  0.159472D+01  0.635884D+01  0.796395D+01  0.456967D+00
      3   0.101697D+02  0.200886D+01  0.100604D+02 -0.219282D+00  0.160854D+01
      4  -0.123281D+02 -0.260450D+01 -0.114648D+02  0.128609D+02 -0.946737D+00
      5   0.212298D+01  0.497523D+01  0.147426D+01 -0.145255D+01 -0.326461D+01
      6  -0.222503D+01  0.682757D+00 -0.988747D+00 -0.117753D+01 -0.202954D+01
                16            17            18            19            20 
      1  -0.346787D+01 -0.380660D+01  0.207888D+02 -0.552721D+01 -0.527187D+01
      2   0.182916D+01 -0.299031D+01  0.262592D+01  0.559352D+01  0.695559D+00
      3   0.163870D+01  0.679691D+01 -0.234147D+02 -0.663019D-01  0.457631D+01
      4  -0.461396D+01 -0.548567D+01 -0.178747D+01  0.588433D+00 -0.315439D+01
      5   0.124539D+02 -0.301863D+01  0.146447D+02 -0.278887D+01  0.640421D+00
      6   0.160240D+01  0.831808D+00  0.127053D+02 -0.327133D+01 -0.155549D+02
                21            22            23            24            25 
      1   0.116166D+02 -0.714306D+01  0.180860D+02 -0.589668D+01  0.161429D+02
      2  -0.169794D+02  0.380813D+01 -0.215934D+02  0.752545D+01 -0.194250D+02
      3   0.536282D+01  0.333493D+01  0.350743D+01 -0.162878D+01  0.328208D+01
      4  -0.211100D+01  0.179421D+01  0.446899D+01 -0.137142D+02 -0.375011D+01
      5  -0.161268D+01  0.102302D+01 -0.686144D+01  0.430965D+00  0.519316D+00
      6   0.101572D+01 -0.143814D+02  0.127570D+02 -0.174205D+02 -0.296721D+01
                26            27            28            29            30 
      1  -0.873278D+01  0.168206D+02 -0.518843D+01 -0.156850D+01 -0.203971D+01
      2   0.108594D+02 -0.222243D+02  0.337473D+01  0.104845D+02  0.905802D+01
      3  -0.212664D+01  0.540377D+01  0.181370D+01 -0.891600D+01 -0.701832D+01
      4  -0.157367D+02 -0.338591D+01 -0.140077D+02 -0.142347D+02  0.132895D+02
      5  -0.571033D+00 -0.425418D+01  0.108260D+02  0.116392D+02 -0.111543D+02
      6  -0.271511D+02  0.163509D+01  0.852293D+01  0.119046D+02 -0.129579D+02
                31            32            33            34            35 
      1   0.138971D+01 -0.645173D+01  0.757201D+01 -0.302579D+01  0.132099D+02
      2   0.528069D+01  0.115998D+02 -0.512833D+01  0.831420D+01 -0.598465D+01
      3  -0.667040D+01 -0.514802D+01 -0.244367D+01 -0.528842D+01 -0.722529D+01
      4  -0.134950D+02 -0.565417D+01  0.623310D+01  0.179440D+02  0.695444D+01
      5   0.850412D+01  0.209753D+01 -0.338250D+01 -0.904893D+01 -0.328849D+01
      6   0.825678D+01  0.178841D+01 -0.585315D+01 -0.966145D+01  0.162099D+00
                36            37            38            39            40 
      1  -0.592992D+01  0.577944D+01  0.160957D+02  0.133538D+02  0.179054D+02
      2   0.860941D+01 -0.108126D+02 -0.104283D+02 -0.629323D+01 -0.941448D+01
      3  -0.267950D+01  0.503313D+01 -0.566743D+01 -0.706062D+01 -0.849091D+01
      4  -0.280170D+00  0.145918D+02 -0.253557D+00 -0.982869D+01  0.160351D+01
      5  -0.822914D+00  0.144977D+02 -0.381921D+01  0.682388D+01 -0.250836D+01
      6  -0.449663D+00 -0.165259D+01  0.564889D+00  0.268673D+01  0.295109D+01
                41            42            43            44            45 
      1  -0.150722D+01 -0.202562D+01  0.153288D+02 -0.455859D+01  0.607744D+01
      2  -0.113946D+00  0.586942D+01 -0.761257D+01  0.326055D+01 -0.509519D+00
      3   0.162117D+01 -0.384380D+01 -0.771620D+01  0.129804D+01 -0.556792D+01
      4  -0.511804D+01  0.958842D+01 -0.122912D+02  0.900030D+01 -0.110783D+02
      5   0.119754D+02 -0.745758D+01  0.354251D+01 -0.948147D+01 -0.568326D+01
      6  -0.617045D+00  0.611759D+01 -0.181462D+01 -0.645182D-01 -0.197805D+01
                46            47            48            49            50 
      1  -0.101219D+02 -0.210830D+00 -0.261463D+01  0.100576D+01  0.241879D+02
      2   0.627013D+01  0.464909D+01  0.416349D+01  0.104405D+01 -0.379012D+02
      3   0.385175D+01 -0.443826D+01 -0.154886D+01 -0.204981D+01  0.137133D+02
      4   0.365116D+01  0.280373D+01  0.311411D+01  0.405746D+01  0.185840D+01
      5  -0.525426D+01 -0.384895D+01 -0.356266D+01 -0.488444D+01 -0.699448D+01
      6   0.475590D+00  0.677216D+00 -0.421082D+01 -0.300740D+01 -0.326683D+01
                51            52            53            54            55 
      1  -0.710947D+01 -0.116876D+01 -0.251254D+01  0.488716D+00  0.569211D+01
      2  -0.619913D+00  0.378932D+01 -0.714592D+00  0.922717D+01  0.882262D+01
      3   0.772938D+01 -0.262055D+01  0.322713D+01 -0.971588D+01 -0.145147D+02
      4  -0.383956D+01  0.599361D+01  0.127308D+01  0.151558D+01  0.201127D+01
      5   0.126301D+01 -0.214270D+01  0.154150D+01 -0.167317D+01 -0.656636D+01
      6  -0.606865D-01  0.134405D-01  0.430666D+01 -0.192117D+01  0.837476D+00
                56            57            58            59            60 
      1  -0.737485D+01 -0.650637D+00 -0.685619D+01 -0.511906D+01  0.691236D+01
      2  -0.903462D+01 -0.252544D-01 -0.842296D+01 -0.156430D+01  0.508015D+01
      3   0.164095D+02  0.675892D+00  0.152792D+02  0.668336D+01 -0.119925D+02
      4  -0.175557D+01 -0.235478D+01 -0.113501D+01  0.164166D+01  0.354899D+01
      5   0.146229D+01 -0.149766D+02  0.304424D+01  0.729074D+01  0.106382D+02
      6   0.457022D+01  0.163829D+02  0.774226D+01  0.946423D+00  0.180842D+01
                61            62            63            64            65 
      1  -0.290656D+01  0.134372D+01 -0.237630D+01  0.107840D+02 -0.472173D+01
      2  -0.147416D+01  0.801003D+01 -0.124623D+01 -0.565721D+01  0.766142D+00
      3   0.438072D+01 -0.935375D+01  0.362253D+01 -0.512679D+01  0.395559D+01
      4  -0.649260D+01 -0.166875D+00  0.430142D+01 -0.152308D+02  0.119347D+02
      5  -0.963353D+01  0.811738D+01  0.143733D+01 -0.126293D+02  0.678850D+01
      6   0.116551D+02 -0.125772D+01 -0.653918D+01  0.789307D+01 -0.642747D+01
                66            67            68            69            70 
      1  -0.422205D+01 -0.248399D+01 -0.365714D+01 -0.194777D+01 -0.589933D+01
      2   0.298666D+01 -0.136038D+01  0.830154D+01  0.301608D+01  0.500720D+01
      3   0.123539D+01  0.384438D+01 -0.464441D+01 -0.106831D+01  0.892125D+00
      4   0.882730D+01  0.138247D+02 -0.137755D+02 -0.111999D+02  0.139487D+02
      5   0.131942D+02  0.672703D+01 -0.932907D+01 -0.815722D+01  0.184502D+02
      6  -0.728595D+01 -0.753181D+01  0.110970D+02  0.108401D+02 -0.123547D+02
                71            72            73            74            75 
      1  -0.193705D+01  0.886053D-01 -0.217252D+02  0.193215D+02  0.207596D+02
      2   0.239608D+01 -0.637579D+01  0.231798D+02 -0.611216D+01 -0.128290D+02
      3  -0.459027D+00  0.628718D+01 -0.145458D+01 -0.132094D+02 -0.793053D+01
      4  -0.154158D+02 -0.162136D+02  0.240035D+02  0.157759D+02 -0.904215D-01
      5  -0.119012D+02 -0.209778D+02  0.240227D+02 -0.518698D+01 -0.168926D+02
      6   0.138940D+02  0.182498D+02  0.450727D+01 -0.632111D+00 -0.444383D+01
                76            77            78            79            80 
      1   0.331051D+02  0.226807D+02 -0.100895D+02  0.243381D+02 -0.650437D+01
      2  -0.191752D+02 -0.318360D+02  0.119194D+02 -0.120813D+02  0.110836D+02
      3  -0.139299D+02  0.915537D+01 -0.182989D+01 -0.122568D+02 -0.457923D+01
      4   0.105308D+02 -0.274808D+02  0.978643D+01  0.329569D+01  0.109766D+02
      5  -0.661208D+01  0.113224D+02  0.402011D+01 -0.235732D+02 -0.101241D+00
      6   0.402604D+00  0.132807D+02 -0.955600D+00 -0.704269D+01 -0.208525D+01
                81            82            83            84            85 
      1  -0.177605D+02 -0.847386D+00  0.227549D+01 -0.233047D+01  0.214330D+01
      2   0.125460D+02 -0.302943D+01 -0.555521D+00  0.430143D+00 -0.663632D+00
      3   0.521443D+01  0.387682D+01 -0.171997D+01  0.190033D+01 -0.147967D+01
      4  -0.377337D+01  0.189792D+01  0.302436D+01 -0.855233D+00  0.415887D+01
      5  -0.275832D+02 -0.138871D+00 -0.625406D+00  0.576852D+01 -0.720599D+00
      6  -0.138887D+02 -0.135439D+01  0.557775D+00 -0.555690D+00  0.507553D+00
                86            87            88            89            90 
      1  -0.371778D+01  0.325524D+01 -0.468155D+01  0.324148D+01 -0.211440D+02
      2   0.919422D+00 -0.664195D+00  0.828509D+00  0.157416D+01 -0.137333D+02
      3   0.279836D+01 -0.259104D+01  0.385305D+01 -0.481564D+01  0.348774D+02
      4   0.598714D+00 -0.251360D+01 -0.262639D+01 -0.388740D+01  0.211393D+01
      5  -0.218511D+01  0.263224D+01  0.395927D+01  0.350672D+01 -0.179793D+02
      6  -0.357552D+01  0.811760D+01  0.724355D-01  0.630556D+01 -0.124737D+02
                91            92            93            94            95 
      1   0.153938D+02  0.397782D+01 -0.243459D+01  0.748037D+00 -0.389617D+01
      2  -0.800002D+01  0.461330D+00  0.280499D+01  0.263854D+01  0.973700D+01
      3  -0.739376D+01 -0.443915D+01 -0.370394D+00 -0.338657D+01 -0.584083D+01
      4   0.237842D+02  0.188106D+02 -0.119456D+02  0.159312D+02  0.167435D+02
      5  -0.202061D+02 -0.121387D+02  0.158387D+02 -0.907303D+01 -0.981959D+01
      6  -0.128750D+02 -0.112535D+02  0.101998D+02 -0.986938D+01 -0.136463D+02
                96            97            98            99           100 
      1   0.189402D+01 -0.882603D+00  0.171186D+01 -0.246025D+01 -0.313017D+01
      2  -0.165202D+01  0.237986D+01 -0.277069D-01 -0.522518D+01  0.493567D+01
      3  -0.241998D+00 -0.149726D+01 -0.168415D+01  0.768543D+01 -0.180549D+01
      4  -0.904350D+01 -0.975464D+01 -0.836807D+01  0.967479D+01 -0.199072D+02
      5   0.697139D+01  0.139261D+02  0.885685D+01 -0.120472D+02 -0.161493D+02
      6   0.103919D+02  0.979303D+01  0.103783D+02 -0.116968D+02 -0.175644D+02
               101           102           103           104           105 
      1  -0.204859D+02 -0.140551D+02 -0.236609D+02  0.281541D+01 -0.846328D+01
      2   0.460798D+01  0.304939D+01  0.555762D+01  0.891696D+01 -0.702810D+01
      3   0.158779D+02  0.110057D+02  0.181033D+02 -0.117324D+02  0.154914D+02
      4  -0.907845D+01 -0.203380D+01 -0.117599D+02  0.258475D+01 -0.147094D+02
      5  -0.121508D+02 -0.831986D+01 -0.122272D+02 -0.162863D+02  0.106250D+02
      6  -0.688151D+01  0.315931D+01 -0.994421D+01  0.711134D+01 -0.204419D+02
               106           107           108           109           110 
      1  -0.113607D+02 -0.390985D+01 -0.242764D+01 -0.237394D+02 -0.307224D+02
      2   0.271327D+01 -0.698612D+01 -0.546786D+01  0.173113D+02  0.186229D+02
      3   0.864739D+01  0.108960D+02  0.789550D+01  0.642811D+01  0.120994D+02
      4   0.225011D+01 -0.994564D+01  0.108507D+02 -0.286962D+02 -0.263473D+01
      5  -0.740127D+01  0.114900D+02  0.697838D+01 -0.107784D+02  0.766340D+01
      6   0.713523D+01 -0.142848D+02  0.139395D+02  0.618403D+01 -0.291548D+01
               111           112           113           114           115 
      1  -0.103369D+02 -0.401531D+02 -0.374394D+01  0.235676D+01 -0.119156D+02
      2   0.216706D+01  0.258382D+02 -0.745244D+01  0.691250D+01  0.134165D+01
      3   0.816979D+01  0.143150D+02  0.111964D+02 -0.926926D+01  0.105739D+02
      4   0.829396D+01 -0.108174D+02  0.173378D+02 -0.155930D+02  0.103251D+02
      5   0.120650D+01  0.935719D+01 -0.142419D+02  0.155639D+02 -0.264317D+01
      6   0.410038D+00 -0.449754D+01  0.912541D+01 -0.881878D+01  0.369815D+01
               116           117           118           119           120 
      1   0.203247D+01  0.711562D+01 -0.198071D+00  0.173049D+01 -0.347770D+00
      2   0.874807D+01 -0.658198D+01  0.439479D+01 -0.250548D+01 -0.511484D+00
      3  -0.107805D+02 -0.533645D+00 -0.419672D+01  0.774993D+00  0.859254D+00
      4  -0.167533D+02  0.168054D+02 -0.329227D-01  0.101073D+02 -0.101330D+01
      5   0.177769D+02  0.213438D+02  0.434410D+00  0.360721D+00  0.289723D+01
      6  -0.858004D+01 -0.932450D+01  0.195263D+00 -0.269152D+00 -0.852490D-01
               121           122           123           124           125 
      1   0.223743D+00 -0.303002D+02 -0.353972D+00 -0.590648D+00  0.394715D+00
      2   0.134991D+01  0.555579D+02 -0.528325D+00 -0.864423D+00 -0.180839D+01
      3  -0.157365D+01 -0.252576D+02  0.882297D+00  0.145507D+01  0.141367D+01
      4   0.826025D+01  0.116625D+01  0.262729D+00 -0.172317D+01 -0.515378D+00
      5   0.226324D+00  0.119642D+01  0.213801D+00  0.224139D+01  0.693069D-01
      6   0.369611D+00  0.531347D+01  0.710710D+01  0.621088D+00  0.823811D+01
               126           127           128           129           130 
      1  -0.435251D+01 -0.204327D+00  0.184816D+01  0.660608D+01  0.234504D+01
      2   0.364233D+01 -0.745082D+01  0.319482D+01  0.782603D+01  0.178123D+01
      3   0.710178D+00  0.765514D+01 -0.504299D+01 -0.144321D+02 -0.412627D+01
      4   0.236269D+00 -0.491330D+01  0.376354D+01  0.363538D+01  0.422042D+01
      5   0.117440D+01 -0.904711D+01  0.426597D+01  0.124121D+02  0.410205D+01
      6   0.402566D+00  0.534882D+01 -0.610586D+01 -0.771438D+01 -0.592268D+01
               131           132           133           134           135 
      1  -0.625344D+01 -0.929093D+01  0.422175D+01 -0.691446D+01 -0.179537D+02
      2  -0.592839D-03 -0.385929D+01  0.558391D+01 -0.426963D+01 -0.160587D+02
      3   0.625403D+01  0.131502D+02 -0.980566D+01  0.111841D+02  0.340124D+02
      4  -0.368069D+01 -0.336642D+01  0.314282D+01 -0.280096D+01 -0.446914D+01
      5  -0.505528D+01 -0.538121D+01  0.105047D+02 -0.513559D+01 -0.127323D+02
      6   0.113577D+02  0.132612D+02 -0.614767D+01  0.102620D+02  0.156862D+02
               136           137           138           139           140 
      1   0.132094D+01  0.165884D+01 -0.583093D+01  0.146222D+01 -0.190497D+01
      2  -0.112921D+02  0.162832D+01 -0.111834D+02  0.248898D+01  0.494349D+00
      3   0.997111D+01 -0.328715D+01  0.170144D+02 -0.395120D+01  0.141062D+01
      4   0.515978D+00  0.379444D+01 -0.549373D-02  0.340220D+01 -0.899291D+00
      5   0.196060D+02 -0.211704D+01  0.176187D+02 -0.389125D+01  0.268060D+01
      6  -0.251661D+01  0.421525D+01 -0.385537D+01  0.316993D+01 -0.381684D+01
               141           142           143           144           145 
      1   0.227915D+01 -0.229956D+01  0.992768D+00 -0.928526D+01 -0.804382D+01
      2   0.174142D+01 -0.828967D+01 -0.122859D+00 -0.125544D+02  0.158776D+01
      3  -0.402057D+01  0.105892D+02 -0.869909D+00  0.218396D+02  0.645606D+01
      4   0.130090D+01  0.572958D+00  0.175693D+01 -0.705905D+00  0.192648D+01
      5  -0.436776D+01  0.140677D+02 -0.227321D+01  0.147584D+02 -0.884097D+01
      6   0.589071D+01 -0.268333D+01  0.471722D+01 -0.203351D+01  0.702868D+01
               146           147           148           149           150 
      1   0.847534D+01  0.107207D+02  0.848978D+01 -0.875528D+01 -0.636343D+01
      2  -0.246534D+01  0.320525D+01 -0.336526D+01  0.314453D+01 -0.635939D+00
      3  -0.601000D+01 -0.139259D+02 -0.512452D+01  0.561075D+01  0.699937D+01
      4   0.679509D+00 -0.800602D+00  0.236517D+01  0.939968D+00  0.292299D+01
      5   0.437120D+01  0.218062D+01  0.589665D+01 -0.489524D+00 -0.103811D+01
      6  -0.573546D+01 -0.613745D+01 -0.380823D+01  0.716285D+01  0.941146D+01
               151           152           153           154           155 
      1   0.721020D+01 -0.612601D+01 -0.112932D+02  0.286839D+02  0.102059D+02
      2   0.136533D+01  0.811537D+00 -0.296816D+01 -0.164693D+02 -0.332616D+01
      3  -0.857553D+01  0.531448D+01  0.142613D+02 -0.122147D+02 -0.687973D+01
      4  -0.514475D+00  0.121612D+01  0.392623D-01  0.195846D+02  0.149964D+02
      5   0.551382D+01 -0.238165D+01 -0.305632D+01  0.284616D+02  0.127405D+02
      6  -0.528380D+01  0.803517D+01  0.615762D+01  0.125611D+02  0.100477D+02
               156           157           158           159           160 
      1   0.615756D+01  0.122952D+02  0.432088D+01  0.162358D+01  0.679988D+00
      2  -0.894480D+01 -0.431784D+01  0.302582D+00 -0.290565D+01 -0.436944D+01
      3   0.278725D+01 -0.797740D+01 -0.462347D+01  0.128207D+01  0.368946D+01
      4   0.718261D+01  0.169882D+02  0.149410D+02  0.808826D+01  0.231645D+01
      5   0.182553D+02  0.151924D+02  0.118840D+02  0.896496D+01  0.110957D+02
      6   0.602270D+01  0.107803D+02  0.100466D+02  0.949642D+01  0.382873D+01
               161           162           163           164           165 
      1  -0.850105D-01  0.193217D+01  0.197292D+01 -0.449818D+00  0.338766D+01
      2  -0.126935D+01 -0.435524D+01 -0.371604D+01  0.201789D+01 -0.423521D+01
      3   0.135436D+01  0.242307D+01  0.174312D+01 -0.156807D+01  0.847543D+00
      4   0.307636D+01  0.369457D+01 -0.194183D+01  0.575271D+01 -0.292956D+01
      5   0.443787D+01  0.774100D+01  0.778631D+01 -0.367915D+01  0.928346D+01
      6   0.580635D+01  0.305317D+01 -0.254902D+01  0.321784D+01 -0.254316D+01
               166           167           168           169           170 
      1  -0.159994D+00 -0.825715D+01  0.107873D+02  0.121660D+01  0.671741D+01
      2   0.335119D+01 -0.170087D+00  0.807479D+01 -0.496675D+01  0.548218D+01
      3  -0.319119D+01  0.842723D+01 -0.188621D+02  0.375015D+01 -0.121996D+02
      4   0.802235D+01 -0.136366D+02  0.106734D+02 -0.328130D+01  0.694594D+01
      5  -0.862795D+01  0.112053D+02 -0.157654D+02  0.964572D+01 -0.873349D+01
      6   0.672005D+01 -0.221383D+02  0.203042D+02 -0.402590D+01  0.145548D+02
               171           172           173           174           175 
      1  -0.123448D+02  0.232983D+01  0.105469D+01 -0.395358D+01  0.193597D+01
      2  -0.121198D+02 -0.316872D+01 -0.196526D-01  0.311214D+01 -0.196920D+01
      3   0.244646D+02  0.838887D+00 -0.103504D+01  0.841443D+00  0.332308D-01
      4  -0.829015D+01  0.631225D+00  0.198966D+01  0.301476D+01  0.591606D+01
      5   0.157271D+02 -0.423753D+01  0.172982D+01  0.616306D+01  0.258128D+01
      6  -0.164327D+02  0.228939D+01 -0.585989D+00 -0.157482D+01 -0.167110D+01
               176           177           178           179           180 
      1  -0.201436D+01 -0.303575D+01 -0.912214D+01 -0.188180D+01 -0.707514D+01
      2   0.385945D+01  0.166020D+01  0.554016D+01  0.153448D+01 -0.501412D+01
      3  -0.184509D+01  0.137554D+01  0.358198D+01  0.347322D+00  0.120893D+02
      4  -0.857369D+01 -0.587442D+01  0.738186D+01 -0.877617D+01 -0.116638D+02
      5  -0.582353D+01 -0.103184D+02  0.122345D+02 -0.123927D+02 -0.344106D+02
      6   0.545250D+01  0.980985D+01 -0.432825D+01  0.103501D+02  0.175381D+02
               181           182           183           184           185 
      1   0.958454D+01 -0.411747D+01  0.422494D+01 -0.533543D+01 -0.300194D+01
      2  -0.190802D+01 -0.107092D+01 -0.889317D+00 -0.566341D+01  0.237246D+02
      3  -0.767651D+01  0.518838D+01 -0.333562D+01  0.109988D+02 -0.207227D+02
      4  -0.802453D+01  0.122766D+02 -0.541625D+01  0.224434D+02 -0.381672D+02
      5   0.475928D+01 -0.421589D+01  0.381291D+01 -0.627450D+01  0.123790D+02
      6  -0.324301D+01  0.152594D+01 -0.894839D+00  0.394501D+01 -0.100693D+02
               186           187           188           189           190 
      1   0.165022D+01  0.857176D+01  0.102434D+01 -0.211951D+01  0.702625D+02
      2  -0.735332D+01 -0.120978D+01 -0.885205D+01  0.341064D+01 -0.384150D+02
      3   0.570310D+01 -0.736197D+01  0.782771D+01 -0.129113D+01 -0.318475D+02
      4   0.131555D+02 -0.121114D+02  0.181524D+02 -0.120638D+02  0.847486D+01
      5  -0.120412D+02  0.783186D+01 -0.122109D+02  0.101665D+02 -0.721529D+00
      6   0.928778D+01 -0.464174D+01  0.984992D+01 -0.799764D+01 -0.166110D+01
               191           192           193           194           195 
      1   0.170076D+02  0.219617D+01  0.351427D+02  0.126538D+02  0.454529D+00
      2  -0.108416D+02 -0.105545D+01 -0.196352D+02 -0.536678D+01 -0.922812D+00
      3  -0.616604D+01 -0.114072D+01 -0.155075D+02 -0.728705D+01  0.468283D+00
      4   0.115707D+02  0.276669D-01  0.139762D+02  0.108868D+02  0.233615D+01
      5  -0.604759D+00  0.858857D+01 -0.194677D+01  0.145208D+01  0.455920D+01
      6  -0.789207D+00 -0.933434D+00 -0.737047D+00 -0.174114D+01  0.161484D+01
               196           197           198           199           200 
      1   0.637688D+01  0.526246D+00  0.601553D+01  0.255802D+02 -0.391768D+01
      2  -0.283691D+01 -0.162040D+01 -0.404469D+01 -0.131117D+02  0.207428D+00
      3  -0.353997D+01  0.109415D+01 -0.197083D+01 -0.124684D+02  0.371025D+01
      4  -0.718644D+00  0.304411D+01  0.361885D+00 -0.154587D+02  0.973991D+01
      5   0.103562D+02  0.124788D+01 -0.263522D-01  0.138446D+02 -0.232672D+01
      6  -0.515274D+00  0.206708D+01  0.886534D+00 -0.529591D+01  0.935023D+00
               201           202           203           204           205 
      1   0.108385D+02 -0.913580D+00  0.281831D+01  0.537108D+00  0.166636D+02
      2  -0.604653D+01 -0.115962D+01 -0.793641D+00 -0.924906D+00 -0.980722D+01
      3  -0.479198D+01  0.207320D+01 -0.202467D+01  0.387799D+00 -0.685633D+01
      4  -0.644696D+01  0.819709D+01 -0.346600D+01  0.358324D+01 -0.100073D+02
      5   0.116461D+02 -0.635203D+00  0.353734D+01 -0.249970D+01  0.144226D+02
      6  -0.465786D+01  0.175614D+01 -0.159441D+01  0.395714D+01 -0.675163D+01
               206           207           208           209           210 
      1  -0.220884D+00  0.778098D+01 -0.148576D+01  0.497615D+01 -0.300016D+01
      2  -0.206876D+01 -0.700610D+01  0.513571D+01 -0.911666D+01  0.423337D+01
      3   0.228964D+01 -0.774885D+00 -0.364995D+01  0.414051D+01 -0.123322D+01
      4   0.701938D+01 -0.993421D+01 -0.695435D+01  0.127304D+02 -0.504308D+01
      5  -0.544078D+01  0.132070D+02  0.232449D+01 -0.386456D+01  0.445851D+01
      6   0.409430D+01 -0.609243D+01 -0.535449D+01  0.734081D+01 -0.394731D+01
               211           212           213           214           215 
      1   0.367704D+01 -0.311990D+02  0.132436D+02 -0.391102D+01  0.204685D+02
      2  -0.729095D+01  0.476378D+02 -0.172253D+02  0.560405D+01 -0.251203D+02
      3   0.361392D+01 -0.164388D+02  0.398170D+01 -0.169303D+01  0.465183D+01
      4   0.826868D+01 -0.124471D+02  0.611815D+01 -0.510763D+01  0.887423D+01
      5  -0.224201D+01  0.496109D+01 -0.263673D+01  0.382319D+01 -0.483853D+01
      6   0.565792D+01 -0.264319D+02  0.183259D+02 -0.429851D+01  0.267440D+02
               216           217           218           219           220 
      1  -0.164551D+02 -0.122868D+01 -0.510887D+01 -0.347725D+01 -0.318076D+01
      2   0.140209D+02  0.350491D+01  0.106875D+02  0.547967D+01  0.646121D+01
      3   0.243413D+01 -0.227623D+01 -0.557865D+01 -0.200242D+01 -0.328046D+01
      4  -0.499104D+01  0.813843D+01  0.861511D+01  0.550506D+01  0.598838D+01
      5   0.459686D+01  0.303840D+01  0.205858D+01  0.403139D+01  0.148559D+01
      6  -0.212163D+02  0.614661D+01  0.618813D+01  0.503751D+01  0.531684D+01
               221           222           223           224           225 
      1  -0.167743D+02 -0.700346D+01 -0.620876D+01 -0.122220D+02 -0.122542D+02
      2   0.260126D+02  0.101183D+02  0.614365D+01  0.170304D+02  0.117335D+02
      3  -0.923825D+01 -0.311481D+01  0.651129D-01 -0.480844D+01  0.520695D+00
      4   0.687681D+01  0.447974D+01  0.665271D+01  0.579648D+01  0.513822D+01
      5   0.226511D+01  0.130795D+01  0.371341D+01  0.183196D+01  0.313514D+01
      6   0.118647D+02  0.132454D+02  0.656629D+01  0.182316D+02  0.175204D+02
               226           227           228           229           230 
      1   0.111005D+02 -0.594156D+00  0.534853D+01 -0.497927D+01 -0.198934D+01
      2  -0.831839D+01  0.342795D+00 -0.388065D+01  0.360233D+01  0.321989D+01
      3  -0.278211D+01  0.251360D+00 -0.146787D+01  0.137694D+01 -0.123055D+01
      4   0.203521D+01  0.162201D+01  0.309591D+01  0.257440D+01  0.398853D+01
      5   0.674172D+01  0.181557D+01  0.127486D+02  0.100039D+01  0.371659D+01
      6   0.274331D+01  0.866870D+00  0.379575D+01  0.122535D+01  0.710956D+00
               231           232           233           234           235 
      1  -0.144106D+00  0.128460D+02  0.141761D+01  0.574762D+01  0.700156D+02
      2   0.102597D+01 -0.787301D+01  0.113724D+01 -0.119330D+02 -0.409563D+02
      3  -0.881864D+00 -0.497297D+01 -0.255485D+01  0.618538D+01 -0.290593D+02
      4   0.407834D+01  0.864163D+01  0.895504D+01  0.604454D+01  0.629959D+01
      5   0.874656D-01  0.185227D+02  0.412511D+01  0.391284D+02 -0.273274D+02
      6   0.397783D+01  0.626323D+01  0.535138D+01  0.175519D+02 -0.446115D+01
               236           237           238           239           240 
      1  -0.725487D+01 -0.200753D+02 -0.226086D+02  0.571435D+01  0.613268D+01
      2   0.598943D+01  0.137576D+02  0.142957D+02 -0.194191D+01 -0.566037D+01
      3   0.126545D+01  0.631766D+01  0.831295D+01 -0.377244D+01 -0.472309D+00
      4   0.894406D+01 -0.138098D+01  0.677822D+01 -0.294997D+01 -0.442449D+01
      5   0.263814D+01  0.185769D+02  0.816071D+01 -0.555605D+01 -0.664521D+01
      6  -0.747578D+00  0.405885D+01 -0.626156D+00 -0.407422D+00  0.697119D+00
               241           242           243           244           245 
      1  -0.265831D+02  0.245419D+01  0.139010D+02  0.165807D+01  0.600715D+01
      2   0.180491D+02 -0.396837D+01 -0.129512D+02  0.152895D+01 -0.433423D+01
      3   0.853408D+01  0.151418D+01 -0.949809D+00 -0.318702D+01 -0.167292D+01
      4  -0.372713D+01 -0.700062D+01  0.103094D+01  0.300172D+01  0.505912D+01
      5   0.233194D+02 -0.196380D+01 -0.140380D+02 -0.301985D+01 -0.624872D+00
      6   0.430011D+01  0.223344D+01 -0.149021D+01 -0.237327D+01  0.481984D+00
               246           247           248           249           250 
      1  -0.363435D+01  0.490188D+01 -0.220939D+02  0.523662D+01 -0.523087D+01
      2   0.201364D+01  0.367439D+01  0.466210D+02 -0.732108D+01  0.188358D+01
      3   0.162071D+01 -0.857626D+01 -0.245270D+02  0.208446D+01  0.334729D+01
      4  -0.133325D+01  0.172570D+02  0.494741D+02 -0.874993D+01 -0.452208D+01
      5   0.212174D+01 -0.216714D+01 -0.928131D+01  0.763749D+01  0.565476D+01
      6  -0.474364D+00 -0.274014D+01 -0.137414D+02  0.979600D+01  0.250698D+01
               251           252 
      1   0.544826D+01 -0.241829D+01
      2  -0.797717D+01  0.329142D+01
      3   0.252891D+01 -0.873127D+00
      4  -0.106302D+02  0.705709D+01
      5   0.721487D+01 -0.230939D+01
      6   0.104709D+02 -0.459146D+01
 Leave Link  716 at Fri Jul  9 22:36:09 2021, MaxMem= 17179869184 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.129188D+03 -0.775621D-01  0.723398D+00
      2  -0.775621D-01  0.115546D+03 -0.187347D+00
      3   0.723398D+00 -0.187347D+00  0.111293D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1   0.227268D+01  0.105163D+01  0.250952D+01
      2   0.332649D+01 -0.963955D+00  0.598212D+01
      3   0.407269D+01  0.270622D+01 -0.138838D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.457701D+01 -0.196179D+02  0.118470D+02
      2  -0.640211D+01  0.917041D+01 -0.373101D+01
      3   0.109791D+02  0.104475D+02 -0.811601D+01
      4  -0.273345D+02 -0.950089D+01  0.254779D+01
      5   0.186551D+02  0.141272D+01  0.162522D+02
      6   0.827352D+00  0.452512D+01 -0.399208D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    84 ND12= 1 LenFil=    3027:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.103914D+01 -0.294934D+01  0.116640D+01 -0.329639D+01  0.125241D+00
      2  -0.294934D+01 -0.624361D+00  0.135491D+01  0.125241D+00  0.335298D+01
      3   0.116640D+01  0.135491D+01  0.294903D+01  0.182671D+01 -0.140146D+01
                 6             7             8             9            10 
      1   0.182671D+01  0.803046D+00  0.214533D+01  0.448060D+01 -0.102275D+00
      2  -0.140146D+01  0.214533D+01 -0.233426D+01 -0.226670D+01  0.383294D+01
      3  -0.161684D+01  0.448060D+01 -0.226670D+01 -0.479794D+00  0.166783D+01
                11            12            13            14            15 
      1   0.383294D+01  0.166783D+01  0.482506D+01  0.783117D+00  0.983892D-01
      2   0.166597D+01 -0.256457D+00  0.783117D+00 -0.544514D+01  0.686762D+00
      3  -0.256457D+00 -0.209171D+01  0.983892D-01  0.686762D+00  0.124491D+01
                16            17            18            19            20 
      1   0.279786D+01 -0.499724D-01 -0.254534D+01  0.969859D+00  0.183936D+01
      2  -0.499724D-01  0.175264D+01  0.138991D+01  0.183936D+01  0.729710D+00
      3  -0.254534D+01  0.138991D+01 -0.655195D+01 -0.792291D+00 -0.353143D+01
                21            22            23            24            25 
      1  -0.792291D+00  0.240671D+01  0.583073D+00 -0.338680D+01 -0.650250D+00
      2  -0.353143D+01  0.583073D+00 -0.415949D+01  0.166843D+01 -0.412716D+01
      3  -0.723958D+00 -0.338680D+01  0.166843D+01 -0.267028D+01 -0.880861D+00
                26            27            28            29            30 
      1  -0.412716D+01 -0.880861D+00 -0.297947D+01 -0.257359D+01  0.891671D+00
      2   0.232509D+01 -0.432069D+01 -0.257359D+01 -0.216882D+01  0.488166D+01
      3  -0.432069D+01 -0.366200D+00  0.891671D+00  0.488166D+01 -0.153442D+01
                31            32            33            34            35 
      1  -0.270706D+01 -0.177318D+01  0.495431D+01  0.829832D+00  0.559669D+01
      2  -0.177318D+01  0.172808D+01  0.547269D+00  0.559669D+01 -0.841671D+00
      3   0.495431D+01  0.547269D+00  0.283850D+01 -0.164433D+01  0.235088D+01
                36            37            38            39            40 
      1  -0.164433D+01  0.524140D+01  0.513265D+01  0.336976D+01  0.611773D+01
      2   0.235088D+01  0.513265D+01  0.176882D+01 -0.166830D+01  0.274771D+01
      3  -0.833067D+00  0.336976D+01 -0.166830D+01  0.740682D+00 -0.237767D+01
                41            42            43            44            45 
      1   0.274771D+01 -0.237767D+01  0.466190D+01 -0.214994D+01  0.182154D+00
      2  -0.341895D+01  0.325574D+01 -0.214994D+01  0.470293D+01 -0.290850D+01
      3   0.325574D+01 -0.273425D+01  0.182154D+00 -0.290850D+01 -0.214167D+01
                46            47            48            49            50 
      1  -0.408422D+01 -0.346839D+01 -0.301334D+01 -0.427774D+01 -0.244441D+00
      2  -0.346839D+01 -0.504793D+00 -0.138007D+00 -0.244441D+00  0.895807D+01
      3  -0.301334D+01 -0.138007D+00 -0.133483D+01 -0.779881D-01 -0.887024D+00
                51            52            53            54            55 
      1  -0.779881D-01 -0.579535D+01 -0.452394D+00 -0.141819D+00  0.178482D+01
      2  -0.887024D+00 -0.452394D+00 -0.730802D+00 -0.214048D+01 -0.284491D+00
      3  -0.276327D+01 -0.141819D+00 -0.214048D+01  0.395368D+01  0.365107D+01
                56            57            58            59            60 
      1  -0.284491D+00  0.365107D+01 -0.633713D+00 -0.192283D+01 -0.346733D+01
      2  -0.180248D+01 -0.363607D+01 -0.192283D+01 -0.154657D+01 -0.172180D+01
      3  -0.363607D+01  0.690760D+00 -0.346733D+01 -0.172180D+01  0.252707D+01
                61            62            63            64            65 
      1   0.289115D+01 -0.269265D+01  0.611351D+00 -0.308984D+01  0.183892D+01
      2  -0.269265D+01 -0.154543D+01  0.214248D+01  0.183892D+01 -0.128084D+01
      3   0.611351D+00  0.214248D+01 -0.538597D+00  0.186291D+01 -0.110945D+01
                66            67            68            69            70 
      1   0.186291D+01  0.182159D+01 -0.171790D+01 -0.126940D+01  0.306928D+01
      2  -0.110945D+01 -0.171790D+01  0.245714D+01  0.200314D+01 -0.185965D+01
      3  -0.193202D+01 -0.126940D+01  0.200314D+01  0.174902D+01 -0.321610D+01
                71            72            73            74            75 
      1  -0.185965D+01 -0.321610D+01  0.184143D+01 -0.407097D+01 -0.303555D+01
      2   0.277594D+01  0.253773D+01 -0.407097D+01 -0.197472D+01  0.687178D+00
      3   0.253773D+01  0.439955D+01 -0.303555D+01  0.687178D+00  0.247711D+01
                76            77            78            79            80 
      1  -0.578242D+01 -0.418720D+00  0.562627D+00 -0.391326D+01  0.247657D+00
      2  -0.418720D+00  0.658316D+01 -0.214452D+01  0.247657D+00 -0.242419D+01
      3   0.562627D+00 -0.214452D+01 -0.616235D+00  0.328359D+01  0.656991D-02
                81            82            83            84            85 
      1   0.328359D+01  0.552449D+00 -0.635904D+00  0.101424D+01 -0.913718D+00
      2   0.656991D-02 -0.635904D+00 -0.121187D+00 -0.296033D-01 -0.195711D+00
      3   0.507090D+01  0.101424D+01 -0.296033D-01  0.595600D+00  0.833602D-01
                86            87            88            89            90 
      1  -0.195711D+00  0.833602D-01  0.182147D+01  0.277349D+00  0.479935D+00
      2  -0.326392D+00  0.117243D+01  0.277349D+00  0.111680D+01 -0.130431D+01
      3   0.117243D+01 -0.120260D+01  0.479935D+00 -0.130431D+01  0.816102D+01
                91            92            93            94            95 
      1   0.610889D+01  0.323885D+01 -0.265198D+01  0.253834D+01  0.234702D+01
      2   0.323885D+01  0.299292D+01 -0.203089D+01  0.234702D+01  0.362675D+01
      3  -0.265198D+01 -0.203089D+01  0.233471D+01 -0.169299D+01 -0.170591D+01
                96            97            98            99           100 
      1  -0.169299D+01 -0.205135D+01 -0.169735D+01  0.231371D+01 -0.198854D+01
      2  -0.170591D+01 -0.169735D+01 -0.148571D+01  0.164869D+01 -0.488830D+01
      3   0.128680D+01  0.231371D+01  0.164869D+01 -0.259588D+01 -0.336924D+01
               101           102           103           104           105 
      1  -0.488830D+01 -0.336924D+01 -0.522318D+01 -0.194417D+01  0.124543D+01
      2  -0.130566D+01  0.970891D+00 -0.194417D+01  0.126523D+01 -0.422574D+01
      3   0.970891D+00  0.513043D+00  0.124543D+01 -0.422574D+01  0.312536D+01
               106           107           108           109           110 
      1  -0.294023D+01  0.142462D+01  0.511480D+00 -0.244445D+01 -0.467741D+01
      2   0.142462D+01 -0.336751D+01  0.274056D+01 -0.467741D+01 -0.976134D+00
      3   0.511480D+00  0.274056D+01  0.155869D+01 -0.216808D+01  0.129273D+01
               111           112           113           114           115 
      1  -0.216808D+01 -0.578505D+01 -0.269972D+01  0.166279D+01 -0.252476D+01
      2   0.129273D+01 -0.269972D+01  0.338504D+01 -0.273647D+01  0.143108D+01
      3   0.379053D+00  0.166279D+01 -0.273647D+01  0.284756D+01 -0.545687D+00
               116           117           118           119           120 
      1   0.143108D+01 -0.545687D+00  0.101651D+00 -0.116538D+01  0.485779D+00
      2  -0.325310D+01  0.344714D+01 -0.116538D+01  0.555494D+00 -0.119888D+00
      3   0.344714D+01  0.433251D+01  0.485779D+00 -0.119888D+00  0.127054D+00
               121           122           123           124           125 
      1  -0.152167D+01 -0.320045D+00  0.116913D+00  0.786383D+00  0.900402D-01
      2  -0.320045D+00 -0.111892D+02  0.117956D+00  0.900402D-01  0.337365D+00
      3   0.116913D+00  0.117956D+00 -0.827983D+00 -0.940670D-01 -0.118355D+01
               126           127           128           129           130 
      1  -0.940670D-01  0.223777D+01 -0.105463D+01 -0.212584D+01 -0.112062D+01
      2  -0.118355D+01 -0.105463D+01  0.128514D+01  0.128264D+01  0.111777D+01
      3  -0.768568D-01 -0.212584D+01  0.128264D+01  0.273442D+01  0.122399D+01
               131           132           133           134           135 
      1   0.111777D+01  0.122399D+01 -0.174528D+01  0.958642D+00  0.213054D+01
      2  -0.182444D+01 -0.179365D+01  0.958642D+00 -0.152461D+01 -0.234823D+01
      3  -0.179365D+01 -0.281507D+01  0.213054D+01 -0.234823D+01 -0.608433D+01
               136           137           138           139           140 
      1  -0.493052D+01  0.455191D+00 -0.333078D+01  0.102323D+01 -0.718016D+00
      2   0.455191D+00 -0.801503D+00  0.692148D+00 -0.718016D+00  0.718347D+00
      3  -0.333078D+01  0.692148D+00 -0.366202D+01  0.997922D+00 -0.821157D+00
               141           142           143           144           145 
      1   0.997922D+00 -0.244957D+01  0.478699D+00 -0.247261D+01 -0.354261D+01
      2  -0.821157D+00  0.478699D+00 -0.497349D+00  0.200607D+00  0.186334D+01
      3   0.936702D+00 -0.247261D+01  0.200607D+00 -0.423551D+01  0.126942D+01
               146           147           148           149           150 
      1   0.186334D+01  0.126942D+01  0.207882D+01 -0.100761D+01 -0.655370D+00
      2  -0.132615D+01 -0.957553D+00 -0.100761D+01  0.168130D+01  0.153154D+01
      3  -0.957553D+00 -0.246414D+01 -0.655370D+00  0.153154D+01  0.135675D+01
               151           152           153           154           155 
      1   0.133034D+01 -0.758030D+00 -0.141861D+01  0.659411D+01  0.303170D+01
      2  -0.758030D+00  0.126443D+01  0.928862D+00  0.303170D+01  0.229820D+01
      3  -0.141861D+01  0.928862D+00  0.222515D+01  0.270967D+01  0.105556D+01
               156           157           158           159           160 
      1   0.270967D+01  0.362138D+01  0.259830D+01  0.126473D+01  0.989186D+00
      2   0.105556D+01  0.259830D+01  0.256077D+01  0.166577D+01  0.348204D+00
      3   0.231838D+01  0.126473D+01  0.166577D+01  0.120881D+01  0.130809D+01
               161           162           163           164           165 
      1   0.348204D+00  0.130809D+01  0.114076D+01 -0.418778D+00  0.141920D+01
      2   0.653130D+00  0.582024D+00 -0.418778D+00  0.665962D+00 -0.464127D+00
      3   0.582024D+00  0.917853D+00  0.141920D+01 -0.464127D+00  0.793317D+00
               166           167           168           169           170 
      1  -0.113743D+01  0.132700D+01 -0.137856D+01  0.120649D+01 -0.733536D+00
      2   0.132700D+01 -0.417489D+01  0.332974D+01 -0.733536D+00  0.216516D+01
      3  -0.137856D+01  0.332974D+01 -0.459969D+01  0.118563D+01 -0.268676D+01
               171           172           173           174           175 
      1   0.118563D+01  0.198354D+00  0.172551D+00 -0.924908D+00  0.330336D-01
      2  -0.268676D+01  0.172551D+00  0.812131D-01  0.145826D+00  0.767181D+00
      3   0.468962D+01 -0.924908D+00  0.145826D+00  0.378192D+00  0.307735D+00
               176           177           178           179           180 
      1   0.767181D+00  0.307735D+00 -0.210624D+01  0.792027D+00  0.131972D+01
      2  -0.164013D+01 -0.119620D+01  0.792027D+00 -0.150885D+01 -0.224917D+01
      3  -0.119620D+01 -0.188461D+01  0.131972D+01 -0.224917D+01 -0.648479D+01
               181           182           183           184           185 
      1   0.165238D+01 -0.966614D+00  0.849116D+00 -0.210350D+01  0.307306D+01
      2  -0.966614D+00  0.100298D+01 -0.513611D+00  0.307306D+01 -0.661407D+01
      3   0.849116D+00 -0.513611D+00  0.261705D+00 -0.981336D+00  0.231615D+01
               186           187           188           189           190 
      1  -0.981336D+00  0.214706D+01 -0.158500D+01  0.110892D+01  0.921933D+01
      2   0.231615D+01 -0.158500D+01  0.317833D+01 -0.220221D+01  0.208664D+01
      3  -0.198946D+01  0.110892D+01 -0.220221D+01  0.175831D+01  0.340039D+00
               191           192           193           194           195 
      1   0.208664D+01  0.340039D+00  0.517476D+01  0.214599D+01 -0.136697D+00
      2   0.153392D+01  0.206756D-01  0.214599D+01  0.154042D+01  0.370767D+00
      3   0.206756D-01  0.814497D+00 -0.136697D+00  0.370767D+00  0.511692D+00
               196           197           198           199           200 
      1   0.103880D+01 -0.756693D-01  0.123039D+01 -0.476172D+01  0.107386D+01
      2  -0.756693D-01  0.515430D+00  0.558036D-01  0.107386D+01 -0.114060D+01
      3   0.123039D+01  0.558036D-01 -0.950584D-01 -0.221831D+01  0.382374D+00
               201           202           203           204           205 
      1  -0.221831D+01  0.728263D+00 -0.909923D+00  0.133935D+00 -0.346229D+01
      2   0.382374D+00 -0.909923D+00  0.174911D+00 -0.526562D+00  0.319538D+00
      3  -0.175914D+01  0.133935D+00 -0.526562D+00  0.429426D+00 -0.227747D+01
               206           207           208           209           210 
      1   0.319538D+00 -0.227747D+01 -0.126547D+01  0.138921D+01 -0.731285D+00
      2  -0.130008D+01  0.937505D+00  0.138921D+01 -0.181300D+01  0.108585D+01
      3   0.937505D+00 -0.252259D+01 -0.731285D+00  0.108585D+01 -0.459101D+00
               211           212           213           214           215 
      1   0.980898D+00 -0.143198D+01  0.788630D+00 -0.113573D+01  0.137342D+01
      2  -0.143198D+01  0.803206D+01 -0.326227D+01  0.137342D+01 -0.504235D+01
      3   0.788630D+00 -0.326227D+01  0.225942D+01 -0.566504D+00  0.368580D+01
               216           217           218           219           220 
      1  -0.566504D+00  0.174828D+01  0.987416D+00  0.122468D+01  0.740877D+00
      2   0.368580D+01  0.987416D+00  0.190056D+01  0.124782D+01  0.115658D+01
      3  -0.318548D+01  0.122468D+01  0.124782D+01  0.126386D+01  0.864869D+00
               221           222           223           224           225 
      1   0.115658D+01  0.864869D+00  0.162686D+01  0.123293D+01  0.132387D+01
      2   0.444255D+01  0.192816D+01  0.123293D+01  0.316164D+01  0.286601D+01
      3   0.192816D+01  0.188213D+01  0.132387D+01  0.286601D+01  0.348526D+01
               226           227           228           229           230 
      1  -0.162200D+01  0.143721D+00 -0.100407D+01  0.705914D+00 -0.355838D+00
      2   0.143721D+00 -0.720360D-01 -0.237397D+00 -0.355838D+00 -0.755904D+00
      3  -0.100407D+01 -0.237397D+00 -0.140365D+01 -0.116157D+00 -0.659953D+00
               231           232           233           234           235 
      1  -0.116157D+00 -0.259737D+01 -0.877599D+00 -0.233393D+01 -0.931413D+01
      2  -0.659953D+00 -0.877599D+00 -0.133219D+01 -0.687254D+00  0.726614D+00
      3   0.121151D-01 -0.233393D+01 -0.687254D+00 -0.641011D+01  0.294086D+01
               236           237           238           239           240 
      1   0.726614D+00  0.294086D+01  0.334617D+01 -0.110790D+01 -0.862238D+00
      2  -0.102040D+01 -0.330791D+00 -0.110790D+01  0.330627D+00  0.766291D+00
      3  -0.330791D+00 -0.192238D+01 -0.862238D+00  0.766291D+00  0.798609D+00
               241           242           243           244           245 
      1   0.424480D+01 -0.945479D-01 -0.265838D+01 -0.305390D+00 -0.659167D+00
      2  -0.945479D-01  0.109191D+01  0.239759D+00 -0.659167D+00  0.451794D+00
      3  -0.265838D+01  0.239759D+00  0.154765D+01  0.503029D+00 -0.766877D-01
               246           247           248           249           250 
      1   0.503029D+00 -0.164024D+01 -0.200404D+01  0.270192D+00  0.112723D+01
      2  -0.766877D-01 -0.200404D+01 -0.974222D+01  0.172257D+01  0.437276D+00
      3  -0.840470D-01  0.270192D+00  0.172257D+01 -0.129458D+01 -0.674282D+00
               251           252 
      1   0.437276D+00 -0.674282D+00
      2   0.214730D+01 -0.146249D+01
      3  -0.146249D+01  0.501675D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.499310D+01 -0.358168D+01 -0.382430D+01 -0.403071D+01  0.672538D+01
      2  -0.355239D+01 -0.234435D+01 -0.646990D+01 -0.272132D+01  0.319766D+01
      3  -0.795685D+01 -0.105394D+02  0.642924D+01 -0.329596D+01  0.729679D+01
                 6             7             8             9            10 
      1   0.754462D+00 -0.484727D+01  0.594906D+01 -0.330875D+00  0.466610D+01
      2   0.409594D+01 -0.151917D+02  0.517383D+01  0.965490D-01 -0.389888D+01
      3  -0.109627D+00  0.779216D+01 -0.839729D+00  0.760549D+00  0.869763D+01
                11            12            13            14            15 
      1   0.240336D+01 -0.149494D+01  0.195834D+01 -0.392339D+01 -0.100040D+01
      2  -0.130769D+01  0.486053D+01 -0.178993D+01 -0.278203D+01 -0.204621D+01
      3  -0.452696D+01 -0.266784D+01  0.306180D+01 -0.118426D+02  0.172886D+01
                16            17            18            19            20 
      1  -0.687500D+00  0.655169D+01 -0.487385D+01  0.215589D+01  0.109072D+02
      2   0.259791D+00 -0.248443D+01  0.152771D+02 -0.206919D+01  0.143471D+01
      3  -0.297592D+01  0.326367D+01  0.230942D+01  0.349268D+01  0.444874D+01
                21            22            23            24            25 
      1   0.295564D+01  0.104646D+02 -0.355683D+01  0.574040D+01  0.439955D+01
      2   0.224068D+01  0.156601D+01 -0.274044D-01 -0.498121D+00 -0.228400D+01
      3  -0.264650D+01  0.116452D+02  0.714996D-01 -0.853566D+01 -0.320813D+01
                26            27            28            29            30 
      1   0.147621D+02  0.358923D+01  0.958112D+00 -0.796207D+01 -0.522489D+01
      2  -0.142441D+01  0.151694D+01 -0.379544D+00  0.397168D+01  0.175215D+01
      3  -0.972494D+01 -0.285497D+01  0.181268D+01 -0.574744D+01 -0.191672D+01
                31            32            33            34            35 
      1  -0.751158D+01 -0.266008D+01 -0.815417D+01 -0.369044D+01 -0.107013D+01
      2   0.357584D+01  0.173279D+00  0.878525D+01 -0.515090D+01  0.105956D+02
      3   0.975730D+00 -0.409385D+01  0.655537D+01 -0.428806D+01  0.813819D+01
                36            37            38            39            40 
      1  -0.302059D+01  0.491866D+01  0.629074D+00 -0.562169D-01  0.228903D+01
      2  -0.186927D+01  0.494749D+01 -0.460579D+01  0.413976D+01 -0.649106D+01
      3  -0.392859D+01 -0.126181D+02 -0.113289D+02  0.160943D+01 -0.317804D+01
                41            42            43            44            45 
      1   0.653987D+00 -0.414364D+01 -0.991838D+00  0.515788D+01 -0.382109D+01
      2   0.716082D+01 -0.690894D+01 -0.716662D+01 -0.698583D+01 -0.622990D+01
      3   0.446197D+01 -0.574383D+01  0.126615D+01 -0.908369D+01  0.702444D+01
                46            47            48            49            50 
      1  -0.621507D+01 -0.833645D+00 -0.111795D+01  0.177358D+00 -0.122551D+00
      2  -0.153911D+01 -0.115027D+01  0.945419D+00 -0.687290D-01  0.290718D+00
      3   0.477771D+01  0.265712D+01  0.348690D+01  0.114530D+02  0.346760D+01
                51            52            53            54            55 
      1  -0.795503D+01 -0.295683D+01 -0.184685D+01  0.959781D+01  0.301989D+01
      2   0.248945D+01 -0.580977D+01 -0.138167D+00 -0.263816D+01  0.546855D+01
      3   0.510033D+00  0.676652D+01  0.370145D+00 -0.872556D+00 -0.612799D+00
                56            57            58            59            60 
      1   0.596645D+01  0.103987D+02  0.251796D+01  0.287591D+01  0.507092D+01
      2  -0.254534D+01  0.141925D+02 -0.268135D+01 -0.718704D+01 -0.110679D+02
      3  -0.180379D+01 -0.258207D+01  0.313901D+01  0.114029D+01  0.151666D+01
                61            62            63            64            65 
      1   0.887719D+01  0.878834D+01 -0.778885D+01 -0.189384D+01  0.348582D+00
      2   0.522407D+01 -0.773021D+01  0.827683D+00 -0.194687D+01  0.163069D+01
      3  -0.144188D+01  0.138974D+01  0.207227D+00 -0.132835D+01 -0.171187D+01
                66            67            68            69            70 
      1   0.309637D+01  0.145501D+01 -0.117756D+01 -0.311077D+01  0.399117D+01
      2   0.489820D+01  0.129994D+01 -0.366495D+01 -0.391964D+01  0.316970D+01
      3   0.319324D+00  0.166349D+01  0.271126D+01  0.160259D+01  0.170183D+01
                71            72            73            74            75 
      1   0.470229D-01 -0.619666D+01 -0.628482D+01 -0.576375D+00  0.393120D+01
      2  -0.432957D+01 -0.861605D+01  0.107913D+02 -0.139723D+00 -0.553879D+01
      3   0.443742D+01  0.197249D+00 -0.176894D+02 -0.168249D+01  0.665075D+01
                76            77            78            79            80 
      1  -0.126094D-01 -0.295789D+01 -0.261649D+01  0.580621D+01  0.187976D+01
      2  -0.154964D+00  0.717459D+01  0.135058D+01 -0.134746D+02 -0.153276D+01
      3   0.106798D+02  0.237262D+02 -0.839856D+01  0.641834D+01 -0.776468D+01
                81            82            83            84            85 
      1   0.779842D+01  0.373497D+00 -0.203137D+00  0.599847D+00 -0.117351D+00
      2  -0.178639D+02 -0.331989D+01  0.243586D+00 -0.146995D+01  0.678397D+00
      3  -0.463169D+01 -0.215440D+01 -0.261847D+00 -0.516442D+00  0.234239D+01
                86            87            88            89            90 
      1   0.480918D+00 -0.697003D+00  0.966832D+00  0.294819D+01  0.476780D+01
      2  -0.174284D+01  0.170240D+01 -0.657638D+01  0.156482D+01 -0.149260D+02
      3   0.453651D+00  0.207954D+01 -0.135898D+01  0.192326D+01 -0.162225D+01
                91            92            93            94            95 
      1  -0.369538D+00 -0.163035D+01 -0.193327D+01 -0.576553D+00 -0.275931D+01
      2   0.444381D+01  0.103966D+01  0.240813D+01  0.180652D+01  0.775024D+00
      3   0.574408D+01 -0.226882D+01 -0.103931D+01  0.318061D+01 -0.178656D+01
                96            97            98            99           100 
      1  -0.162094D+01 -0.116098D+01  0.172615D+01  0.260452D+01 -0.102659D+02
      2   0.814985D+00 -0.168411D+01 -0.402068D+00 -0.147650D+01 -0.196044D+01
      3  -0.351331D+00 -0.198328D+01  0.140194D+00  0.129930D+01  0.880488D+01
               101           102           103           104           105 
      1  -0.245628D+01  0.206251D+01 -0.548576D+01  0.268929D+01 -0.138810D+02
      2   0.124356D+02  0.124453D+02  0.141327D+02 -0.436723D+01  0.326288D+01
      3  -0.533293D+00 -0.285883D+01  0.490669D+01 -0.254199D+01  0.837838D+01
               106           107           108           109           110 
      1   0.367959D+01 -0.632586D+01  0.642971D+01 -0.822555D+00  0.183818D+01
      2   0.603484D+01  0.191174D+01  0.119034D+01 -0.705629D+01  0.266227D+01
      3  -0.362735D+01  0.662693D+01 -0.491631D+01  0.187336D+02  0.844822D+01
               111           112           113           114           115 
      1  -0.338220D+00  0.264155D+01 -0.458058D+01  0.299163D+01 -0.248218D+01
      2   0.184223D+01  0.240216D+01 -0.892960D+01  0.108895D+02 -0.688722D+01
      3  -0.190155D+01  0.178224D+02 -0.907078D+01  0.647260D+01 -0.150611D+01
               116           117           118           119           120 
      1   0.804148D+01  0.567288D+01  0.120482D+01 -0.148288D+00 -0.307613D-01
      2   0.127840D+02  0.160010D+02 -0.438500D+00 -0.213296D+00  0.111083D+01
      3   0.713789D+01 -0.106893D+02 -0.100569D+00  0.380869D-01 -0.528152D+00
               121           122           123           124           125 
      1   0.331272D+00  0.272715D+01 -0.564740D+01  0.165074D+00 -0.536638D+00
      2  -0.296394D-01 -0.643971D+00  0.295444D+00 -0.149006D+01  0.208414D+00
      3   0.712154D+01 -0.133334D+01 -0.101086D+00 -0.136547D+01 -0.204714D+00
               126           127           128           129           130 
      1   0.436109D-01  0.213756D+01 -0.414880D+01 -0.192900D+01 -0.276578D+01
      2   0.124399D-01  0.745764D+01 -0.280693D+01 -0.338982D+01 -0.386642D+01
      3  -0.289057D-01 -0.165951D+01 -0.579805D+00  0.843011D+00  0.234680D+01
               131           132           133           134           135 
      1   0.442232D+01  0.112645D+01 -0.183168D+01  0.431931D+01  0.280048D+01
      2   0.271359D+01  0.259495D+01 -0.643799D+01  0.242835D+01  0.297056D+01
      3  -0.100782D+00 -0.212682D+00  0.138514D+01  0.517515D+00 -0.669755D+00
               136           137           138           139           140 
      1  -0.212121D+01  0.421866D+01 -0.265137D+01  0.203853D+01 -0.253213D+01
      2  -0.150245D+02  0.130943D+01 -0.523107D+01  0.341964D+01 -0.159768D+01
      3   0.136224D+01 -0.271729D+01  0.128673D+01  0.541757D+00  0.641274D+00
               141           142           143           144           145 
      1   0.315091D+00 -0.157270D+01  0.291811D+01 -0.113774D+01  0.444741D+01
      2   0.206260D+01 -0.763265D+01  0.802947D+00 -0.429631D+01  0.139860D+02
      3  -0.349647D+00  0.330457D+00 -0.181184D+01  0.941740D+00 -0.544584D+01
               146           147           148           149           150 
      1  -0.452731D+01 -0.487211D+00 -0.341550D+01  0.463709D+01  0.131329D+01
      2  -0.630712D+01 -0.489642D+01 -0.721771D+01  0.509419D+01  0.283044D+01
      3   0.172406D+01  0.168062D+01  0.434948D+01 -0.269440D+01 -0.230583D+01
               151           152           153           154           155 
      1  -0.137743D+01  0.361933D+01  0.886462D+00  0.625535D+01  0.563413D+01
      2  -0.743104D+01  0.345716D+01  0.544186D+01 -0.913448D+01 -0.429267D+01
      3   0.224860D+01 -0.131123D+01 -0.188952D+01 -0.246163D+01 -0.561537D+01
               156           157           158           159           160 
      1   0.612963D+00  0.502534D+01  0.547190D+01  0.144921D+01  0.603145D+00
      2   0.154987D+01 -0.615890D+01 -0.214432D+01  0.762190D+00 -0.161463D+01
      3  -0.144917D+01 -0.159221D+01 -0.490710D+01 -0.241232D+01 -0.196403D-01
               161           162           163           164           165 
      1   0.229146D+01  0.937804D+00 -0.853161D+00  0.198226D+01 -0.968063D+00
      2  -0.345322D+00 -0.101222D+01  0.423643D+00 -0.100364D+00 -0.275024D+00
      3  -0.117870D+01 -0.443952D+00  0.622477D+00 -0.191299D+01  0.102060D+01
               166           167           168           169           170 
      1   0.291273D+01 -0.109846D+02  0.512640D+01 -0.195545D+01  0.761612D+01
      2   0.143659D+01  0.340704D+01 -0.612211D+01 -0.260586D+01 -0.288231D+01
      3  -0.874622D-01  0.738052D+01 -0.556110D+01  0.498593D+00 -0.428643D+01
               171           172           173           174           175 
      1  -0.593271D+01 -0.168598D+01  0.641138D-01 -0.950974D-01  0.591934D-03
      2   0.566093D+01 -0.333367D+01  0.860227D+00  0.309807D+00  0.435778D+00
      3   0.466528D+01 -0.468692D-01 -0.107588D+01  0.785238D+00 -0.768759D+00
               176           177           178           179           180 
      1   0.865062D-01 -0.305611D+01  0.297947D+00  0.381643D+00 -0.843270D+01
      2  -0.297352D+01 -0.586835D+01 -0.158157D+01 -0.603178D+01 -0.208494D+02
      3   0.360344D+01  0.303916D+01  0.139524D+01  0.412788D+01  0.587477D+01
               181           182           183           184           185 
      1   0.133047D+01 -0.962349D+00  0.843927D+00 -0.182582D+01  0.382634D+01
      2   0.284089D+01 -0.195990D+01  0.213228D+01 -0.242089D+01  0.775406D+01
      3   0.129352D+01 -0.369067D+01  0.623376D+00 -0.391335D+01  0.168424D+02
               186           187           188           189           190 
      1  -0.594002D+01  0.126113D+01 -0.211414D+01  0.390532D+01 -0.365734D+00
      2  -0.730832D+01  0.182634D+01 -0.642267D+01  0.557311D+01  0.326552D+01
      3  -0.587262D+01  0.763156D+00 -0.827197D+01  0.543829D+01 -0.159907D+02
               191           192           193           194           195 
      1  -0.398758D+00  0.255072D+00 -0.619150D+00 -0.132863D+00 -0.104362D+01
      2   0.104170D+01  0.558671D+01  0.928124D+00  0.185344D+01  0.270694D+01
      3  -0.101504D+02 -0.498127D+00 -0.955856D+01 -0.839914D+01 -0.118210D+01
               196           197           198           199           200 
      1   0.103834D+01  0.437361D+00 -0.290043D+00  0.379213D+01  0.302747D+00
      2   0.246911D+01  0.370806D-01  0.297423D-01  0.521888D+01 -0.961959D+00
      3  -0.528960D+00 -0.182888D+01 -0.119755D+01 -0.497996D+01 -0.319731D+01
               201           202           203           204           205 
      1   0.312033D+01 -0.153840D+00  0.518775D+00 -0.168173D+01  0.313907D+01
      2   0.665803D+01 -0.259789D+00  0.145987D+01 -0.110879D+01  0.412877D+01
      3  -0.260332D+01  0.368858D+00 -0.170979D+01 -0.833182D+00 -0.484992D+01
               206           207           208           209           210 
      1  -0.560843D-01  0.476656D+01  0.117066D+01 -0.257759D+01  0.150609D+01
      2  -0.195795D+01  0.767554D+01 -0.747900D+00  0.277954D+00  0.113892D+01
      3  -0.357960D+01 -0.146783D+01 -0.340567D+01  0.101844D+01 -0.140248D+01
               211           212           213           214           215 
      1  -0.157739D+01  0.493946D+01 -0.735074D+01  0.357736D+00 -0.533779D+01
      2   0.109766D+01  0.193558D+00 -0.898034D+00 -0.197197D+01 -0.170924D+00
      3   0.448411D+01 -0.821943D+00  0.908010D+00 -0.409772D+01  0.142387D+01
               216           217           218           219           220 
      1   0.784348D+01 -0.371131D+01 -0.312871D+01 -0.468014D+01 -0.245493D+01
      2   0.695159D+00 -0.620498D-03 -0.285028D+00  0.847138D+00 -0.942195D+00
      3   0.303767D-01  0.572064D+01  0.683783D+00  0.359483D+01  0.351029D+01
               221           222           223           224           225 
      1  -0.491448D+01 -0.669310D+01 -0.425755D+01 -0.583914D+01 -0.118132D+02
      2  -0.632675D+00  0.337368D+00 -0.220962D+01 -0.336625D+00 -0.930587D+00
      3   0.290798D+01  0.271818D+01  0.637228D+01  0.341586D+01  0.377938D+01
               226           227           228           229           230 
      1  -0.157120D+01  0.189743D+00 -0.219362D+01 -0.224151D+00 -0.881920D+00
      2   0.297701D+01  0.754878D+00  0.510233D+01  0.521385D+00  0.190986D+01
      3   0.235159D+01 -0.124512D+01  0.706893D+00 -0.673976D+00 -0.142738D+01
               231           232           233           234           235 
      1  -0.838285D+00 -0.296673D+01  0.187952D+01 -0.103602D+02  0.409777D+01
      2  -0.290553D+00  0.401726D+01  0.157048D+01  0.224021D+02 -0.542216D+01
      3  -0.160810D+01  0.120465D+01 -0.381704D+01  0.150798D+01  0.151454D+02
               236           237           238           239           240 
      1  -0.152374D+01 -0.245550D+01 -0.122962D+01  0.148107D+01  0.544066D+00
      2   0.100497D+01  0.805021D+01  0.121295D+01 -0.203563D+01 -0.301917D+01
      3  -0.729716D+01 -0.533789D+01 -0.618874D+01  0.327653D+01  0.347651D+01
               241           242           243           244           245 
      1  -0.308775D+01  0.211874D+01  0.164607D+01  0.625114D+00  0.174572D+00
      2   0.503626D+01 -0.936775D+00 -0.422132D+01 -0.163693D+01  0.254553D+00
      3  -0.585659D+01  0.475603D+01  0.418276D+01 -0.206916D+01  0.109185D+01
               246           247           248           249           250 
      1   0.979265D-01 -0.170847D+00 -0.253470D+00 -0.464607D+01 -0.755889D+00
      2   0.704622D+00  0.289255D+00 -0.442880D+01  0.407520D+01  0.448379D+00
      3  -0.991155D+00  0.250226D+00 -0.272949D+02  0.495919D+01 -0.103510D+01
               251           252 
      1  -0.530104D+00  0.610989D+00
      2   0.362056D+01 -0.808880D+00
      3   0.603485D+01 -0.300558D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.402996D+01  0.934595D+01 -0.116387D+02  0.717503D+01 -0.192617D+01
      2   0.218329D+01 -0.660903D+01  0.650934D+01 -0.519632D+01  0.478201D+01
      3   0.184667D+01 -0.273692D+01  0.512932D+01 -0.197871D+01 -0.285584D+01
      4   0.143771D+02 -0.500575D+01  0.199308D-01 -0.869891D+01 -0.105967D+02
      5  -0.315398D+01 -0.528162D+01 -0.147911D+02 -0.696476D+01  0.541249D+01
      6   0.347392D+00  0.702908D+01  0.882038D+01  0.764778D+01 -0.597857D+01
                 6             7             8             9            10 
      1  -0.208835D-01 -0.148240D+02 -0.144665D+01 -0.133018D+02 -0.243765D+01
      2  -0.122080D+01  0.995506D+01  0.197780D+01  0.706712D+01 -0.164282D+01
      3   0.124169D+01  0.486889D+01 -0.531148D+00  0.623471D+01  0.408047D+01
      4   0.854223D+01 -0.122367D+01  0.124414D+02  0.197723D+02 -0.204236D+02
      5   0.803995D+01 -0.221685D+02  0.134387D+02  0.427846D+01 -0.475985D+01
      6  -0.658581D+01  0.143829D+02 -0.791559D+01 -0.738748D+01 -0.908613D+00
                11            12            13            14            15 
      1  -0.122853D+02 -0.360357D+01 -0.164192D+02 -0.774467D+01 -0.206550D+01
      2   0.211559D+01  0.159472D+01  0.635884D+01  0.796395D+01  0.456967D+00
      3   0.101697D+02  0.200886D+01  0.100604D+02 -0.219282D+00  0.160854D+01
      4  -0.123281D+02 -0.260450D+01 -0.114648D+02  0.128609D+02 -0.946737D+00
      5   0.212298D+01  0.497523D+01  0.147426D+01 -0.145255D+01 -0.326461D+01
      6  -0.222503D+01  0.682757D+00 -0.988747D+00 -0.117753D+01 -0.202954D+01
                16            17            18            19            20 
      1  -0.346787D+01 -0.380660D+01  0.207888D+02 -0.552721D+01 -0.527187D+01
      2   0.182916D+01 -0.299031D+01  0.262592D+01  0.559352D+01  0.695559D+00
      3   0.163870D+01  0.679691D+01 -0.234147D+02 -0.663019D-01  0.457631D+01
      4  -0.461396D+01 -0.548567D+01 -0.178747D+01  0.588433D+00 -0.315439D+01
      5   0.124539D+02 -0.301863D+01  0.146447D+02 -0.278887D+01  0.640421D+00
      6   0.160240D+01  0.831808D+00  0.127053D+02 -0.327133D+01 -0.155549D+02
                21            22            23            24            25 
      1   0.116166D+02 -0.714306D+01  0.180860D+02 -0.589668D+01  0.161429D+02
      2  -0.169794D+02  0.380813D+01 -0.215934D+02  0.752545D+01 -0.194250D+02
      3   0.536282D+01  0.333493D+01  0.350743D+01 -0.162878D+01  0.328208D+01
      4  -0.211100D+01  0.179421D+01  0.446899D+01 -0.137142D+02 -0.375011D+01
      5  -0.161268D+01  0.102302D+01 -0.686144D+01  0.430965D+00  0.519316D+00
      6   0.101572D+01 -0.143814D+02  0.127570D+02 -0.174205D+02 -0.296721D+01
                26            27            28            29            30 
      1  -0.873278D+01  0.168206D+02 -0.518843D+01 -0.156850D+01 -0.203971D+01
      2   0.108594D+02 -0.222243D+02  0.337473D+01  0.104845D+02  0.905802D+01
      3  -0.212664D+01  0.540377D+01  0.181370D+01 -0.891600D+01 -0.701832D+01
      4  -0.157367D+02 -0.338591D+01 -0.140077D+02 -0.142347D+02  0.132895D+02
      5  -0.571033D+00 -0.425418D+01  0.108260D+02  0.116392D+02 -0.111543D+02
      6  -0.271511D+02  0.163509D+01  0.852293D+01  0.119046D+02 -0.129579D+02
                31            32            33            34            35 
      1   0.138971D+01 -0.645173D+01  0.757201D+01 -0.302579D+01  0.132099D+02
      2   0.528069D+01  0.115998D+02 -0.512833D+01  0.831420D+01 -0.598465D+01
      3  -0.667040D+01 -0.514802D+01 -0.244367D+01 -0.528842D+01 -0.722529D+01
      4  -0.134950D+02 -0.565417D+01  0.623310D+01  0.179440D+02  0.695444D+01
      5   0.850412D+01  0.209753D+01 -0.338250D+01 -0.904893D+01 -0.328849D+01
      6   0.825678D+01  0.178841D+01 -0.585315D+01 -0.966145D+01  0.162099D+00
                36            37            38            39            40 
      1  -0.592992D+01  0.577944D+01  0.160957D+02  0.133538D+02  0.179054D+02
      2   0.860941D+01 -0.108126D+02 -0.104283D+02 -0.629323D+01 -0.941448D+01
      3  -0.267950D+01  0.503313D+01 -0.566743D+01 -0.706062D+01 -0.849091D+01
      4  -0.280170D+00  0.145918D+02 -0.253557D+00 -0.982869D+01  0.160351D+01
      5  -0.822914D+00  0.144977D+02 -0.381921D+01  0.682388D+01 -0.250836D+01
      6  -0.449663D+00 -0.165259D+01  0.564889D+00  0.268673D+01  0.295109D+01
                41            42            43            44            45 
      1  -0.150722D+01 -0.202562D+01  0.153288D+02 -0.455859D+01  0.607744D+01
      2  -0.113946D+00  0.586942D+01 -0.761257D+01  0.326055D+01 -0.509519D+00
      3   0.162117D+01 -0.384380D+01 -0.771620D+01  0.129804D+01 -0.556792D+01
      4  -0.511804D+01  0.958842D+01 -0.122912D+02  0.900030D+01 -0.110783D+02
      5   0.119754D+02 -0.745758D+01  0.354251D+01 -0.948147D+01 -0.568326D+01
      6  -0.617045D+00  0.611759D+01 -0.181462D+01 -0.645182D-01 -0.197805D+01
                46            47            48            49            50 
      1  -0.101219D+02 -0.210830D+00 -0.261463D+01  0.100576D+01  0.241879D+02
      2   0.627013D+01  0.464909D+01  0.416349D+01  0.104405D+01 -0.379012D+02
      3   0.385175D+01 -0.443826D+01 -0.154886D+01 -0.204981D+01  0.137133D+02
      4   0.365116D+01  0.280373D+01  0.311411D+01  0.405746D+01  0.185840D+01
      5  -0.525426D+01 -0.384895D+01 -0.356266D+01 -0.488444D+01 -0.699448D+01
      6   0.475590D+00  0.677216D+00 -0.421082D+01 -0.300740D+01 -0.326683D+01
                51            52            53            54            55 
      1  -0.710947D+01 -0.116876D+01 -0.251254D+01  0.488716D+00  0.569211D+01
      2  -0.619913D+00  0.378932D+01 -0.714592D+00  0.922717D+01  0.882262D+01
      3   0.772938D+01 -0.262055D+01  0.322713D+01 -0.971588D+01 -0.145147D+02
      4  -0.383956D+01  0.599361D+01  0.127308D+01  0.151558D+01  0.201127D+01
      5   0.126301D+01 -0.214270D+01  0.154150D+01 -0.167317D+01 -0.656636D+01
      6  -0.606865D-01  0.134405D-01  0.430666D+01 -0.192117D+01  0.837476D+00
                56            57            58            59            60 
      1  -0.737485D+01 -0.650637D+00 -0.685619D+01 -0.511906D+01  0.691236D+01
      2  -0.903462D+01 -0.252544D-01 -0.842296D+01 -0.156430D+01  0.508015D+01
      3   0.164095D+02  0.675892D+00  0.152792D+02  0.668336D+01 -0.119925D+02
      4  -0.175557D+01 -0.235478D+01 -0.113501D+01  0.164166D+01  0.354899D+01
      5   0.146229D+01 -0.149766D+02  0.304424D+01  0.729074D+01  0.106382D+02
      6   0.457022D+01  0.163829D+02  0.774226D+01  0.946423D+00  0.180842D+01
                61            62            63            64            65 
      1  -0.290656D+01  0.134372D+01 -0.237630D+01  0.107840D+02 -0.472173D+01
      2  -0.147416D+01  0.801003D+01 -0.124623D+01 -0.565721D+01  0.766142D+00
      3   0.438072D+01 -0.935375D+01  0.362253D+01 -0.512679D+01  0.395559D+01
      4  -0.649260D+01 -0.166875D+00  0.430142D+01 -0.152308D+02  0.119347D+02
      5  -0.963353D+01  0.811738D+01  0.143733D+01 -0.126293D+02  0.678850D+01
      6   0.116551D+02 -0.125772D+01 -0.653918D+01  0.789307D+01 -0.642747D+01
                66            67            68            69            70 
      1  -0.422205D+01 -0.248399D+01 -0.365714D+01 -0.194777D+01 -0.589933D+01
      2   0.298666D+01 -0.136038D+01  0.830154D+01  0.301608D+01  0.500720D+01
      3   0.123539D+01  0.384438D+01 -0.464441D+01 -0.106831D+01  0.892125D+00
      4   0.882730D+01  0.138247D+02 -0.137755D+02 -0.111999D+02  0.139487D+02
      5   0.131942D+02  0.672703D+01 -0.932907D+01 -0.815722D+01  0.184502D+02
      6  -0.728595D+01 -0.753181D+01  0.110970D+02  0.108401D+02 -0.123547D+02
                71            72            73            74            75 
      1  -0.193705D+01  0.886053D-01 -0.217252D+02  0.193215D+02  0.207596D+02
      2   0.239608D+01 -0.637579D+01  0.231798D+02 -0.611216D+01 -0.128290D+02
      3  -0.459027D+00  0.628718D+01 -0.145458D+01 -0.132094D+02 -0.793053D+01
      4  -0.154158D+02 -0.162136D+02  0.240035D+02  0.157759D+02 -0.904215D-01
      5  -0.119012D+02 -0.209778D+02  0.240227D+02 -0.518698D+01 -0.168926D+02
      6   0.138940D+02  0.182498D+02  0.450727D+01 -0.632111D+00 -0.444383D+01
                76            77            78            79            80 
      1   0.331051D+02  0.226807D+02 -0.100895D+02  0.243381D+02 -0.650437D+01
      2  -0.191752D+02 -0.318360D+02  0.119194D+02 -0.120813D+02  0.110836D+02
      3  -0.139299D+02  0.915537D+01 -0.182989D+01 -0.122568D+02 -0.457923D+01
      4   0.105308D+02 -0.274808D+02  0.978643D+01  0.329569D+01  0.109766D+02
      5  -0.661208D+01  0.113224D+02  0.402011D+01 -0.235732D+02 -0.101241D+00
      6   0.402604D+00  0.132807D+02 -0.955600D+00 -0.704269D+01 -0.208525D+01
                81            82            83            84            85 
      1  -0.177605D+02 -0.847386D+00  0.227549D+01 -0.233047D+01  0.214330D+01
      2   0.125460D+02 -0.302943D+01 -0.555521D+00  0.430143D+00 -0.663632D+00
      3   0.521443D+01  0.387682D+01 -0.171997D+01  0.190033D+01 -0.147967D+01
      4  -0.377337D+01  0.189792D+01  0.302436D+01 -0.855233D+00  0.415887D+01
      5  -0.275832D+02 -0.138871D+00 -0.625406D+00  0.576852D+01 -0.720599D+00
      6  -0.138887D+02 -0.135439D+01  0.557775D+00 -0.555690D+00  0.507553D+00
                86            87            88            89            90 
      1  -0.371778D+01  0.325524D+01 -0.468155D+01  0.324148D+01 -0.211440D+02
      2   0.919422D+00 -0.664195D+00  0.828509D+00  0.157416D+01 -0.137333D+02
      3   0.279836D+01 -0.259104D+01  0.385305D+01 -0.481564D+01  0.348774D+02
      4   0.598714D+00 -0.251360D+01 -0.262639D+01 -0.388740D+01  0.211393D+01
      5  -0.218511D+01  0.263224D+01  0.395927D+01  0.350672D+01 -0.179793D+02
      6  -0.357552D+01  0.811760D+01  0.724355D-01  0.630556D+01 -0.124737D+02
                91            92            93            94            95 
      1   0.153938D+02  0.397782D+01 -0.243459D+01  0.748037D+00 -0.389617D+01
      2  -0.800002D+01  0.461330D+00  0.280499D+01  0.263854D+01  0.973700D+01
      3  -0.739376D+01 -0.443915D+01 -0.370394D+00 -0.338657D+01 -0.584083D+01
      4   0.237842D+02  0.188106D+02 -0.119456D+02  0.159312D+02  0.167435D+02
      5  -0.202061D+02 -0.121387D+02  0.158387D+02 -0.907303D+01 -0.981959D+01
      6  -0.128750D+02 -0.112535D+02  0.101998D+02 -0.986938D+01 -0.136463D+02
                96            97            98            99           100 
      1   0.189402D+01 -0.882603D+00  0.171186D+01 -0.246025D+01 -0.313017D+01
      2  -0.165202D+01  0.237986D+01 -0.277069D-01 -0.522518D+01  0.493567D+01
      3  -0.241998D+00 -0.149726D+01 -0.168415D+01  0.768543D+01 -0.180549D+01
      4  -0.904350D+01 -0.975464D+01 -0.836807D+01  0.967479D+01 -0.199072D+02
      5   0.697139D+01  0.139261D+02  0.885685D+01 -0.120472D+02 -0.161493D+02
      6   0.103919D+02  0.979303D+01  0.103783D+02 -0.116968D+02 -0.175644D+02
               101           102           103           104           105 
      1  -0.204859D+02 -0.140551D+02 -0.236609D+02  0.281541D+01 -0.846328D+01
      2   0.460798D+01  0.304939D+01  0.555762D+01  0.891696D+01 -0.702810D+01
      3   0.158779D+02  0.110057D+02  0.181033D+02 -0.117324D+02  0.154914D+02
      4  -0.907845D+01 -0.203380D+01 -0.117599D+02  0.258475D+01 -0.147094D+02
      5  -0.121508D+02 -0.831986D+01 -0.122272D+02 -0.162863D+02  0.106250D+02
      6  -0.688151D+01  0.315931D+01 -0.994421D+01  0.711134D+01 -0.204419D+02
               106           107           108           109           110 
      1  -0.113607D+02 -0.390985D+01 -0.242764D+01 -0.237394D+02 -0.307224D+02
      2   0.271327D+01 -0.698612D+01 -0.546786D+01  0.173113D+02  0.186229D+02
      3   0.864739D+01  0.108960D+02  0.789550D+01  0.642811D+01  0.120994D+02
      4   0.225011D+01 -0.994564D+01  0.108507D+02 -0.286962D+02 -0.263473D+01
      5  -0.740127D+01  0.114900D+02  0.697838D+01 -0.107784D+02  0.766340D+01
      6   0.713523D+01 -0.142848D+02  0.139395D+02  0.618403D+01 -0.291548D+01
               111           112           113           114           115 
      1  -0.103369D+02 -0.401531D+02 -0.374394D+01  0.235676D+01 -0.119156D+02
      2   0.216706D+01  0.258382D+02 -0.745244D+01  0.691250D+01  0.134165D+01
      3   0.816979D+01  0.143150D+02  0.111964D+02 -0.926926D+01  0.105739D+02
      4   0.829396D+01 -0.108174D+02  0.173378D+02 -0.155930D+02  0.103251D+02
      5   0.120650D+01  0.935719D+01 -0.142419D+02  0.155639D+02 -0.264317D+01
      6   0.410038D+00 -0.449754D+01  0.912541D+01 -0.881878D+01  0.369815D+01
               116           117           118           119           120 
      1   0.203247D+01  0.711562D+01 -0.198071D+00  0.173049D+01 -0.347770D+00
      2   0.874807D+01 -0.658198D+01  0.439479D+01 -0.250548D+01 -0.511484D+00
      3  -0.107805D+02 -0.533645D+00 -0.419672D+01  0.774993D+00  0.859254D+00
      4  -0.167533D+02  0.168054D+02 -0.329227D-01  0.101073D+02 -0.101330D+01
      5   0.177769D+02  0.213438D+02  0.434410D+00  0.360721D+00  0.289723D+01
      6  -0.858004D+01 -0.932450D+01  0.195263D+00 -0.269152D+00 -0.852490D-01
               121           122           123           124           125 
      1   0.223743D+00 -0.303002D+02 -0.353972D+00 -0.590648D+00  0.394715D+00
      2   0.134991D+01  0.555579D+02 -0.528325D+00 -0.864423D+00 -0.180839D+01
      3  -0.157365D+01 -0.252576D+02  0.882297D+00  0.145507D+01  0.141367D+01
      4   0.826025D+01  0.116625D+01  0.262729D+00 -0.172317D+01 -0.515378D+00
      5   0.226324D+00  0.119642D+01  0.213801D+00  0.224139D+01  0.693069D-01
      6   0.369611D+00  0.531347D+01  0.710710D+01  0.621088D+00  0.823811D+01
               126           127           128           129           130 
      1  -0.435251D+01 -0.204327D+00  0.184816D+01  0.660608D+01  0.234504D+01
      2   0.364233D+01 -0.745082D+01  0.319482D+01  0.782603D+01  0.178123D+01
      3   0.710178D+00  0.765514D+01 -0.504299D+01 -0.144321D+02 -0.412627D+01
      4   0.236269D+00 -0.491330D+01  0.376354D+01  0.363538D+01  0.422042D+01
      5   0.117440D+01 -0.904711D+01  0.426597D+01  0.124121D+02  0.410205D+01
      6   0.402566D+00  0.534882D+01 -0.610586D+01 -0.771438D+01 -0.592268D+01
               131           132           133           134           135 
      1  -0.625344D+01 -0.929093D+01  0.422175D+01 -0.691446D+01 -0.179537D+02
      2  -0.592839D-03 -0.385929D+01  0.558391D+01 -0.426963D+01 -0.160587D+02
      3   0.625403D+01  0.131502D+02 -0.980566D+01  0.111841D+02  0.340124D+02
      4  -0.368069D+01 -0.336642D+01  0.314282D+01 -0.280096D+01 -0.446914D+01
      5  -0.505528D+01 -0.538121D+01  0.105047D+02 -0.513559D+01 -0.127323D+02
      6   0.113577D+02  0.132612D+02 -0.614767D+01  0.102620D+02  0.156862D+02
               136           137           138           139           140 
      1   0.132094D+01  0.165884D+01 -0.583093D+01  0.146222D+01 -0.190497D+01
      2  -0.112921D+02  0.162832D+01 -0.111834D+02  0.248898D+01  0.494349D+00
      3   0.997111D+01 -0.328715D+01  0.170144D+02 -0.395120D+01  0.141062D+01
      4   0.515978D+00  0.379444D+01 -0.549373D-02  0.340220D+01 -0.899291D+00
      5   0.196060D+02 -0.211704D+01  0.176187D+02 -0.389125D+01  0.268060D+01
      6  -0.251661D+01  0.421525D+01 -0.385537D+01  0.316993D+01 -0.381684D+01
               141           142           143           144           145 
      1   0.227915D+01 -0.229956D+01  0.992768D+00 -0.928526D+01 -0.804382D+01
      2   0.174142D+01 -0.828967D+01 -0.122859D+00 -0.125544D+02  0.158776D+01
      3  -0.402057D+01  0.105892D+02 -0.869909D+00  0.218396D+02  0.645606D+01
      4   0.130090D+01  0.572958D+00  0.175693D+01 -0.705905D+00  0.192648D+01
      5  -0.436776D+01  0.140677D+02 -0.227321D+01  0.147584D+02 -0.884097D+01
      6   0.589071D+01 -0.268333D+01  0.471722D+01 -0.203351D+01  0.702868D+01
               146           147           148           149           150 
      1   0.847534D+01  0.107207D+02  0.848978D+01 -0.875528D+01 -0.636343D+01
      2  -0.246534D+01  0.320525D+01 -0.336526D+01  0.314453D+01 -0.635939D+00
      3  -0.601000D+01 -0.139259D+02 -0.512452D+01  0.561075D+01  0.699937D+01
      4   0.679509D+00 -0.800602D+00  0.236517D+01  0.939968D+00  0.292299D+01
      5   0.437120D+01  0.218062D+01  0.589665D+01 -0.489524D+00 -0.103811D+01
      6  -0.573546D+01 -0.613745D+01 -0.380823D+01  0.716285D+01  0.941146D+01
               151           152           153           154           155 
      1   0.721020D+01 -0.612601D+01 -0.112932D+02  0.286839D+02  0.102059D+02
      2   0.136533D+01  0.811537D+00 -0.296816D+01 -0.164693D+02 -0.332616D+01
      3  -0.857553D+01  0.531448D+01  0.142613D+02 -0.122147D+02 -0.687973D+01
      4  -0.514475D+00  0.121612D+01  0.392623D-01  0.195846D+02  0.149964D+02
      5   0.551382D+01 -0.238165D+01 -0.305632D+01  0.284616D+02  0.127405D+02
      6  -0.528380D+01  0.803517D+01  0.615762D+01  0.125611D+02  0.100477D+02
               156           157           158           159           160 
      1   0.615756D+01  0.122952D+02  0.432088D+01  0.162358D+01  0.679988D+00
      2  -0.894480D+01 -0.431784D+01  0.302582D+00 -0.290565D+01 -0.436944D+01
      3   0.278725D+01 -0.797740D+01 -0.462347D+01  0.128207D+01  0.368946D+01
      4   0.718261D+01  0.169882D+02  0.149410D+02  0.808826D+01  0.231645D+01
      5   0.182553D+02  0.151924D+02  0.118840D+02  0.896496D+01  0.110957D+02
      6   0.602270D+01  0.107803D+02  0.100466D+02  0.949642D+01  0.382873D+01
               161           162           163           164           165 
      1  -0.850105D-01  0.193217D+01  0.197292D+01 -0.449818D+00  0.338766D+01
      2  -0.126935D+01 -0.435524D+01 -0.371604D+01  0.201789D+01 -0.423521D+01
      3   0.135436D+01  0.242307D+01  0.174312D+01 -0.156807D+01  0.847543D+00
      4   0.307636D+01  0.369457D+01 -0.194183D+01  0.575271D+01 -0.292956D+01
      5   0.443787D+01  0.774100D+01  0.778631D+01 -0.367915D+01  0.928346D+01
      6   0.580635D+01  0.305317D+01 -0.254902D+01  0.321784D+01 -0.254316D+01
               166           167           168           169           170 
      1  -0.159994D+00 -0.825715D+01  0.107873D+02  0.121660D+01  0.671741D+01
      2   0.335119D+01 -0.170087D+00  0.807479D+01 -0.496675D+01  0.548218D+01
      3  -0.319119D+01  0.842723D+01 -0.188621D+02  0.375015D+01 -0.121996D+02
      4   0.802235D+01 -0.136366D+02  0.106734D+02 -0.328130D+01  0.694594D+01
      5  -0.862795D+01  0.112053D+02 -0.157654D+02  0.964572D+01 -0.873349D+01
      6   0.672005D+01 -0.221383D+02  0.203042D+02 -0.402590D+01  0.145548D+02
               171           172           173           174           175 
      1  -0.123448D+02  0.232983D+01  0.105469D+01 -0.395358D+01  0.193597D+01
      2  -0.121198D+02 -0.316872D+01 -0.196526D-01  0.311214D+01 -0.196920D+01
      3   0.244646D+02  0.838887D+00 -0.103504D+01  0.841443D+00  0.332308D-01
      4  -0.829015D+01  0.631225D+00  0.198966D+01  0.301476D+01  0.591606D+01
      5   0.157271D+02 -0.423753D+01  0.172982D+01  0.616306D+01  0.258128D+01
      6  -0.164327D+02  0.228939D+01 -0.585989D+00 -0.157482D+01 -0.167110D+01
               176           177           178           179           180 
      1  -0.201436D+01 -0.303575D+01 -0.912214D+01 -0.188180D+01 -0.707514D+01
      2   0.385945D+01  0.166020D+01  0.554016D+01  0.153448D+01 -0.501412D+01
      3  -0.184509D+01  0.137554D+01  0.358198D+01  0.347322D+00  0.120893D+02
      4  -0.857369D+01 -0.587442D+01  0.738186D+01 -0.877617D+01 -0.116638D+02
      5  -0.582353D+01 -0.103184D+02  0.122345D+02 -0.123927D+02 -0.344106D+02
      6   0.545250D+01  0.980985D+01 -0.432825D+01  0.103501D+02  0.175381D+02
               181           182           183           184           185 
      1   0.958454D+01 -0.411747D+01  0.422494D+01 -0.533543D+01 -0.300194D+01
      2  -0.190802D+01 -0.107092D+01 -0.889317D+00 -0.566341D+01  0.237246D+02
      3  -0.767651D+01  0.518838D+01 -0.333562D+01  0.109988D+02 -0.207227D+02
      4  -0.802453D+01  0.122766D+02 -0.541625D+01  0.224434D+02 -0.381672D+02
      5   0.475928D+01 -0.421589D+01  0.381291D+01 -0.627450D+01  0.123790D+02
      6  -0.324301D+01  0.152594D+01 -0.894839D+00  0.394501D+01 -0.100693D+02
               186           187           188           189           190 
      1   0.165022D+01  0.857176D+01  0.102434D+01 -0.211951D+01  0.702625D+02
      2  -0.735332D+01 -0.120978D+01 -0.885205D+01  0.341064D+01 -0.384150D+02
      3   0.570310D+01 -0.736197D+01  0.782771D+01 -0.129113D+01 -0.318475D+02
      4   0.131555D+02 -0.121114D+02  0.181524D+02 -0.120638D+02  0.847486D+01
      5  -0.120412D+02  0.783186D+01 -0.122109D+02  0.101665D+02 -0.721529D+00
      6   0.928778D+01 -0.464174D+01  0.984992D+01 -0.799764D+01 -0.166110D+01
               191           192           193           194           195 
      1   0.170076D+02  0.219617D+01  0.351427D+02  0.126538D+02  0.454529D+00
      2  -0.108416D+02 -0.105545D+01 -0.196352D+02 -0.536678D+01 -0.922812D+00
      3  -0.616604D+01 -0.114072D+01 -0.155075D+02 -0.728705D+01  0.468283D+00
      4   0.115707D+02  0.276669D-01  0.139762D+02  0.108868D+02  0.233615D+01
      5  -0.604759D+00  0.858857D+01 -0.194677D+01  0.145208D+01  0.455920D+01
      6  -0.789207D+00 -0.933434D+00 -0.737047D+00 -0.174114D+01  0.161484D+01
               196           197           198           199           200 
      1   0.637688D+01  0.526246D+00  0.601553D+01  0.255802D+02 -0.391768D+01
      2  -0.283691D+01 -0.162040D+01 -0.404469D+01 -0.131117D+02  0.207428D+00
      3  -0.353997D+01  0.109415D+01 -0.197083D+01 -0.124684D+02  0.371025D+01
      4  -0.718644D+00  0.304411D+01  0.361885D+00 -0.154587D+02  0.973991D+01
      5   0.103562D+02  0.124788D+01 -0.263522D-01  0.138446D+02 -0.232672D+01
      6  -0.515274D+00  0.206708D+01  0.886534D+00 -0.529591D+01  0.935023D+00
               201           202           203           204           205 
      1   0.108385D+02 -0.913580D+00  0.281831D+01  0.537108D+00  0.166636D+02
      2  -0.604653D+01 -0.115962D+01 -0.793641D+00 -0.924906D+00 -0.980722D+01
      3  -0.479198D+01  0.207320D+01 -0.202467D+01  0.387799D+00 -0.685633D+01
      4  -0.644696D+01  0.819709D+01 -0.346600D+01  0.358324D+01 -0.100073D+02
      5   0.116461D+02 -0.635203D+00  0.353734D+01 -0.249970D+01  0.144226D+02
      6  -0.465786D+01  0.175614D+01 -0.159441D+01  0.395714D+01 -0.675163D+01
               206           207           208           209           210 
      1  -0.220884D+00  0.778098D+01 -0.148576D+01  0.497615D+01 -0.300016D+01
      2  -0.206876D+01 -0.700610D+01  0.513571D+01 -0.911666D+01  0.423337D+01
      3   0.228964D+01 -0.774885D+00 -0.364995D+01  0.414051D+01 -0.123322D+01
      4   0.701938D+01 -0.993421D+01 -0.695435D+01  0.127304D+02 -0.504308D+01
      5  -0.544078D+01  0.132070D+02  0.232449D+01 -0.386456D+01  0.445851D+01
      6   0.409430D+01 -0.609243D+01 -0.535449D+01  0.734081D+01 -0.394731D+01
               211           212           213           214           215 
      1   0.367704D+01 -0.311990D+02  0.132436D+02 -0.391102D+01  0.204685D+02
      2  -0.729095D+01  0.476378D+02 -0.172253D+02  0.560405D+01 -0.251203D+02
      3   0.361392D+01 -0.164388D+02  0.398170D+01 -0.169303D+01  0.465183D+01
      4   0.826868D+01 -0.124471D+02  0.611815D+01 -0.510763D+01  0.887423D+01
      5  -0.224201D+01  0.496109D+01 -0.263673D+01  0.382319D+01 -0.483853D+01
      6   0.565792D+01 -0.264319D+02  0.183259D+02 -0.429851D+01  0.267440D+02
               216           217           218           219           220 
      1  -0.164551D+02 -0.122868D+01 -0.510887D+01 -0.347725D+01 -0.318076D+01
      2   0.140209D+02  0.350491D+01  0.106875D+02  0.547967D+01  0.646121D+01
      3   0.243413D+01 -0.227623D+01 -0.557865D+01 -0.200242D+01 -0.328046D+01
      4  -0.499104D+01  0.813843D+01  0.861511D+01  0.550506D+01  0.598838D+01
      5   0.459686D+01  0.303840D+01  0.205858D+01  0.403139D+01  0.148559D+01
      6  -0.212163D+02  0.614661D+01  0.618813D+01  0.503751D+01  0.531684D+01
               221           222           223           224           225 
      1  -0.167743D+02 -0.700346D+01 -0.620876D+01 -0.122220D+02 -0.122542D+02
      2   0.260126D+02  0.101183D+02  0.614365D+01  0.170304D+02  0.117335D+02
      3  -0.923825D+01 -0.311481D+01  0.651129D-01 -0.480844D+01  0.520695D+00
      4   0.687681D+01  0.447974D+01  0.665271D+01  0.579648D+01  0.513822D+01
      5   0.226511D+01  0.130795D+01  0.371341D+01  0.183196D+01  0.313514D+01
      6   0.118647D+02  0.132454D+02  0.656629D+01  0.182316D+02  0.175204D+02
               226           227           228           229           230 
      1   0.111005D+02 -0.594156D+00  0.534853D+01 -0.497927D+01 -0.198934D+01
      2  -0.831839D+01  0.342795D+00 -0.388065D+01  0.360233D+01  0.321989D+01
      3  -0.278211D+01  0.251360D+00 -0.146787D+01  0.137694D+01 -0.123055D+01
      4   0.203521D+01  0.162201D+01  0.309591D+01  0.257440D+01  0.398853D+01
      5   0.674172D+01  0.181557D+01  0.127486D+02  0.100039D+01  0.371659D+01
      6   0.274331D+01  0.866870D+00  0.379575D+01  0.122535D+01  0.710956D+00
               231           232           233           234           235 
      1  -0.144106D+00  0.128460D+02  0.141761D+01  0.574762D+01  0.700156D+02
      2   0.102597D+01 -0.787301D+01  0.113724D+01 -0.119330D+02 -0.409563D+02
      3  -0.881864D+00 -0.497297D+01 -0.255485D+01  0.618538D+01 -0.290593D+02
      4   0.407834D+01  0.864163D+01  0.895504D+01  0.604454D+01  0.629959D+01
      5   0.874656D-01  0.185227D+02  0.412511D+01  0.391284D+02 -0.273274D+02
      6   0.397783D+01  0.626323D+01  0.535138D+01  0.175519D+02 -0.446115D+01
               236           237           238           239           240 
      1  -0.725487D+01 -0.200753D+02 -0.226086D+02  0.571435D+01  0.613268D+01
      2   0.598943D+01  0.137576D+02  0.142957D+02 -0.194191D+01 -0.566037D+01
      3   0.126545D+01  0.631766D+01  0.831295D+01 -0.377244D+01 -0.472309D+00
      4   0.894406D+01 -0.138098D+01  0.677822D+01 -0.294997D+01 -0.442449D+01
      5   0.263814D+01  0.185769D+02  0.816071D+01 -0.555605D+01 -0.664521D+01
      6  -0.747578D+00  0.405885D+01 -0.626156D+00 -0.407422D+00  0.697119D+00
               241           242           243           244           245 
      1  -0.265831D+02  0.245419D+01  0.139010D+02  0.165807D+01  0.600715D+01
      2   0.180491D+02 -0.396837D+01 -0.129512D+02  0.152895D+01 -0.433423D+01
      3   0.853408D+01  0.151418D+01 -0.949809D+00 -0.318702D+01 -0.167292D+01
      4  -0.372713D+01 -0.700062D+01  0.103094D+01  0.300172D+01  0.505912D+01
      5   0.233194D+02 -0.196380D+01 -0.140380D+02 -0.301985D+01 -0.624872D+00
      6   0.430011D+01  0.223344D+01 -0.149021D+01 -0.237327D+01  0.481984D+00
               246           247           248           249           250 
      1  -0.363435D+01  0.490188D+01 -0.220939D+02  0.523662D+01 -0.523087D+01
      2   0.201364D+01  0.367439D+01  0.466210D+02 -0.732108D+01  0.188358D+01
      3   0.162071D+01 -0.857626D+01 -0.245270D+02  0.208446D+01  0.334729D+01
      4  -0.133325D+01  0.172570D+02  0.494741D+02 -0.874993D+01 -0.452208D+01
      5   0.212174D+01 -0.216714D+01 -0.928131D+01  0.763749D+01  0.565476D+01
      6  -0.474364D+00 -0.274014D+01 -0.137414D+02  0.979600D+01  0.250698D+01
               251           252 
      1   0.544826D+01 -0.241829D+01
      2  -0.797717D+01  0.329142D+01
      3   0.252891D+01 -0.873127D+00
      4  -0.106302D+02  0.705709D+01
      5   0.721487D+01 -0.230939D+01
      6   0.104709D+02 -0.459146D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524165D-01      0.133229D+00      0.444406D+00
   x          0.435381D-03      0.110663D-02      0.369132D-02
   y          0.345650D-01      0.878556D-01      0.293055D+00
   z          0.394025D-01      0.100151D+00      0.334068D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112085D+03      0.166093D+02      0.184804D+02
   aniso      0.154571D+02      0.229051D+01      0.254853D+01
   xx         0.122105D+03      0.180941D+02      0.201325D+02
   yx        -0.124918D+00     -0.185110D-01     -0.205963D-01
   yy         0.109055D+03      0.161603D+02      0.179807D+02
   zx         0.628410D+00      0.931207D-01      0.103611D+00
   zy        -0.115230D+00     -0.170753D-01     -0.189988D-01
   zz         0.105096D+03      0.155736D+02      0.173280D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.118675D+03      0.175859D+02      0.195669D+02
   aniso      0.162453D+02      0.240731D+01      0.267849D+01
   xx         0.129188D+03      0.191437D+02      0.213002D+02
   yx        -0.775621D-01     -0.114935D-01     -0.127883D-01
   yy         0.115546D+03      0.171221D+02      0.190509D+02
   zx         0.723398D+00      0.107197D+00      0.119272D+00
   zy        -0.187347D+00     -0.277620D-01     -0.308894D-01
   zz         0.111293D+03      0.164919D+02      0.183497D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.89938988          1.25505079          1.68977102
     6         -2.50302057         -1.25045656          0.21936361
     6         -0.48334272          2.86832662          2.03732938
     6          1.46379954          2.29146733         -0.01757844
     6          2.27887973         -0.54602714          0.07366511
     6         -0.17429523         -1.04637655         -1.49381017
     6          0.06446545          1.68920227         -2.52153335
     1         -3.78062086          0.86848788          3.51469629
     6         -4.86966676         -1.93446403         -1.28353076
     1         -2.16412252         -2.78110531          1.56444834
     1          2.97867149          3.69261183         -0.05096073
     6          2.59485097         -1.82374096          2.63327704
     6          4.66470237         -1.03383009         -1.48144267
     1         -0.10638463         -2.60546485         -2.84659226
     1          1.27572488          1.82127731         -4.17417637
     1         -1.67623718          2.72101427         -2.90575484
     1          0.98969729         -1.56434635          3.89105677
     1          4.26551797         -1.08393344          3.59769423
     1          2.87207004         -3.85669751          2.39119106
     1          4.59040970         -0.17719510         -3.35158912
     1          4.95723845         -3.06303116         -1.73351168
     1          6.32406432         -0.27738274         -0.51141232
     1         -4.27339435          2.37886122          0.63771247
     1         -0.99471972          4.86790299          1.96088672
     1          0.35849874          2.56171428          3.89581953
     1         -5.23613029         -0.53547761         -2.75884273
     1         -6.53218524         -2.00550346         -0.06142526
     1         -4.67000305         -3.77666064         -2.19231831

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.524165D-01      0.133229D+00      0.444406D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.524165D-01      0.133229D+00      0.444406D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.112085D+03      0.166093D+02      0.184804D+02
   aniso      0.154571D+02      0.229051D+01      0.254853D+01
   xx         0.122094D+03      0.180925D+02      0.201306D+02
   yx        -0.570272D+00     -0.845056D-01     -0.940252D-01
   yy         0.107451D+03      0.159226D+02      0.177163D+02
   zx         0.523973D+00      0.776448D-01      0.863915D-01
   zy         0.194152D+01      0.287703D+00      0.320113D+00
   zz         0.106711D+03      0.158129D+02      0.175943D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.118675D+03      0.175859D+02      0.195669D+02
   aniso      0.162453D+02      0.240731D+01      0.267849D+01
   xx         0.129175D+03      0.191417D+02      0.212981D+02
   yx        -0.600467D+00     -0.889800D-01     -0.990036D-01
   yy         0.113885D+03      0.168761D+02      0.187772D+02
   zx         0.633910D+00      0.939358D-01      0.104518D+00
   zy         0.207756D+01      0.307863D+00      0.342543D+00
   zz         0.112966D+03      0.167398D+02      0.186255D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U25-27\Freq\RM11\Gen\C10H18\PIERPA\09-Jul-2021\0\\#P M11/
 Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=Rea
 d Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,-1.52888,1.093729,0
 .246966\C,-1.321456,-0.416759,0.534617\C,-0.251555,1.852797,-0.188359\
 C,0.77071,0.903021,-0.813047\C,1.207111,-0.195282,0.209826\C,-0.097064
 ,-0.937248,-0.228322\C,0.020234,-0.208022,-1.592788\H,-1.986528,1.5782
 25,1.111675\C,-2.579256,-1.209394,0.185867\H,-1.133681,-0.556858,1.602
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 A MAN THINKING OR WORKING IS ALWAYS ALONE, 
 LET HIM BE WHERE HE WILL.

                                    -- THOREAU
 Job cpu time:       0 days 11 hours 30 minutes  0.6 seconds.
 Elapsed time:       0 days  0 hours 57 minutes 39.2 seconds.
 File lengths (MBytes):  RWF=    433 Int=      0 D2E=      0 Chk=     13 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 22:36:10 2021.
